(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol

C13H14ClN3O — CID 164719436

IUPAC(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESOC(c1cnn(CC2CC2)c1)c1cccnc1Cl
InChIInChI=1S/C13H14ClN3O/c14-13-11(2-1-5-15-13)12(18)10-6-16-17(8-10)7-9-3-4-9/h1-2,5-6,8-9,12,18H,3-4,7H2
InChIKeyAAHOFYPWQRFFJC-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.42
Rot. Bonds4

About (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol

(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol (PubChem CID 164719436) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
PubChem CID164719436
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESOC(c1cnn(CC2CC2)c1)c1cccnc1Cl
InChIInChI=1S/C13H14ClN3O/c14-13-11(2-1-5-15-13)12(18)10-6-16-17(8-10)7-9-3-4-9/h1-2,5-6,8-9,12,18H,3-4,7H2
InChIKeyAAHOFYPWQRFFJC-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 (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The IUPAC name of (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol (CID 164719436) is (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol is OC(c1cnn(CC2CC2)c1)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The InChIKey is AAHOFYPWQRFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-13-11(2-1-5-15-13)12(18)10-6-16-17(8-10)7-9-3-4-9/h1-2,5-6,8-9,12,18H,3-4,7H2.
What are the key properties of (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol 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 (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 164719436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).