1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C14H19ClN4O — CID 71907392

IUPAC1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCC(NCC(C)(O)c1cnn(C)c1)c1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN4O/c1-10(11-4-5-13(15)16-6-11)17-9-14(2,20)12-7-18-19(3)8-12/h4-8,10,17,20H,9H2,1-3H3
InChIKeyZMDUXDMTXFSXSL-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.03
Rot. Bonds5

About 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 71907392) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID71907392
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCC(NCC(C)(O)c1cnn(C)c1)c1ccc(Cl)nc1
InChIInChI=1S/C14H19ClN4O/c1-10(11-4-5-13(15)16-6-11)17-9-14(2,20)12-7-18-19(3)8-12/h4-8,10,17,20H,9H2,1-3H3
InChIKeyZMDUXDMTXFSXSL-UHFFFAOYSA-N
XLogP2.03
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
CID 111755740
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656374
(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99854332
2-(1-methylpyrazol-4-yl)-1-[(5-methylpyrimidin-2-yl)amino]propan-2-ol
CID 133403121
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide
CID 97232685
3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
CID 111458533
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 71907392) is 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is CC(NCC(C)(O)c1cnn(C)c1)c1ccc(Cl)nc1.
What is the InChIKey of 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is ZMDUXDMTXFSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-10(11-4-5-13(15)16-6-11)17-9-14(2,20)12-7-18-19(3)8-12/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 294.79 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 71907392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).