2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol

C26H28Cl2N6O — CID 164997630

IUPAC2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
SMILESClc1ncccc1Cn1cc(CC2CC2)cn1.OC(c1cnn(Cc2cccnc2Cl)c1)C1CC1
InChIInChI=1S/C13H14ClN3O.C13H14ClN3/c14-13-10(2-1-5-15-13)7-17-8-11(6-16-17)12(18)9-3-4-9;14-13-12(2-1-5-15-13)9-17-8-11(7-16-17)6-10-3-4-10/h1-2,5-6,8-9,12,18H,3-4,7H2;1-2,5,7-8,10H,3-4,6,9H2
InChIKeyHTUCCTRKGDNYEX-UHFFFAOYSA-N
MW511.46 g/mol
LogP5.36
Rot. Bonds8

About 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol

2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol (PubChem CID 164997630) has the molecular formula C26H28Cl2N6O and a molecular weight of 511.46 g/mol. Its IUPAC name is 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
PubChem CID164997630
Molecular FormulaC26H28Cl2N6O
Molecular Weight511.46 g/mol
Exact Mass510.17
IUPAC Name2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
SMILESClc1ncccc1Cn1cc(CC2CC2)cn1.OC(c1cnn(Cc2cccnc2Cl)c1)C1CC1
InChIInChI=1S/C13H14ClN3O.C13H14ClN3/c14-13-10(2-1-5-15-13)7-17-8-11(6-16-17)12(18)9-3-4-9;14-13-12(2-1-5-15-13)9-17-8-11(7-16-17)6-10-3-4-10/h1-2,5-6,8-9,12,18H,3-4,7H2;1-2,5,7-8,10H,3-4,6,9H2
InChIKeyHTUCCTRKGDNYEX-UHFFFAOYSA-N
XLogP5.36
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-Chloro-3-pyridinyl)methyl]-1H-pyrazole-4-methanol
CID 87478322
[1-[(2-Chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
CID 164719201
2-Chloro-3-iodopyridine;(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol;1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 164950197
(2-Chloro-3-pyridinyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 164981703
2-Chloro-3-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]pyridine;(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
CID 165044269
Magnesium;1-[(2-chloro-3-pyridinyl)methyl]pyrazole-4-carbaldehyde;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol;cyclopropane;bromide
CID 165080849
2-Chloro-3-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine;(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)triazol-4-yl]methanol
CID 165088170
2-Chloro-3-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]pyridine;(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol
CID 165106562
(3S)-1-[2-chloro-5-[1-(cyclopropylmethyl)pyrazol-4-yl]-4-pyridinyl]piperidin-3-ol
CID 172626805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
The IUPAC name of 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol (CID 164997630) is 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol.
What is the SMILES notation for 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
The canonical SMILES for 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol is Clc1ncccc1Cn1cc(CC2CC2)cn1.OC(c1cnn(Cc2cccnc2Cl)c1)C1CC1.
What is the InChIKey of 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
The InChIKey is HTUCCTRKGDNYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.C13H14ClN3/c14-13-10(2-1-5-15-13)7-17-8-11(6-16-17)12(18)9-3-4-9;14-13-12(2-1-5-15-13)9-17-8-11(7-16-17)6-10-3-4-10/h1-2,5-6,8-9,12,18H,3-4,7H2;1-2,5,7-8,10H,3-4,6,9H2.
What are the key properties of 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol has a molecular weight of 511.46 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[4-(cyclopropylmethyl)pyrazol-1-yl]methyl]pyridine;[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol is sourced from PubChem (CID 164997630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).