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

C13H14ClN3O — CID 164719201

IUPAC[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
SMILESOC(c1cnn(Cc2cccnc2Cl)c1)C1CC1
InChIInChI=1S/C13H14ClN3O/c14-13-10(2-1-5-15-13)7-17-8-11(6-16-17)12(18)9-3-4-9/h1-2,5-6,8-9,12,18H,3-4,7H2
InChIKeySBJGTWDVZVNWRD-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.42
Rot. Bonds4

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

[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol (PubChem CID 164719201) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
PubChem CID164719201
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol
SMILESOC(c1cnn(Cc2cccnc2Cl)c1)C1CC1
InChIInChI=1S/C13H14ClN3O/c14-13-10(2-1-5-15-13)7-17-8-11(6-16-17)12(18)9-3-4-9/h1-2,5-6,8-9,12,18H,3-4,7H2
InChIKeySBJGTWDVZVNWRD-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
The IUPAC name of [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol (CID 164719201) is [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol.
What is the SMILES notation for [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
The canonical SMILES for [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol is OC(c1cnn(Cc2cccnc2Cl)c1)C1CC1.
What is the InChIKey of [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
The InChIKey is SBJGTWDVZVNWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-13-10(2-1-5-15-13)7-17-8-11(6-16-17)12(18)9-3-4-9/h1-2,5-6,8-9,12,18H,3-4,7H2.
What are the key properties of [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol?
[1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol has a molecular weight of 263.73 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-pyridinyl)methyl]pyrazol-4-yl]-cyclopropylmethanol is sourced from PubChem (CID 164719201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).