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

C14H16ClN3O — CID 164719165

IUPAC(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(CC2CC2)cc1C(O)c1cccnc1Cl
InChIInChI=1S/C14H16ClN3O/c1-9-12(8-18(17-9)7-10-4-5-10)13(19)11-3-2-6-16-14(11)15/h2-3,6,8,10,13,19H,4-5,7H2,1H3
InChIKeyKXVITEOARWYUFZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.73
Rot. Bonds4

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

(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol (PubChem CID 164719165) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol
PubChem CID164719165
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(CC2CC2)cc1C(O)c1cccnc1Cl
InChIInChI=1S/C14H16ClN3O/c1-9-12(8-18(17-9)7-10-4-5-10)13(19)11-3-2-6-16-14(11)15/h2-3,6,8,10,13,19H,4-5,7H2,1H3
InChIKeyKXVITEOARWYUFZ-UHFFFAOYSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.73
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)-3-methylpyrazol-4-yl]methanol?
The IUPAC name of (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol (CID 164719165) is (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol is Cc1nn(CC2CC2)cc1C(O)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol?
The InChIKey is KXVITEOARWYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-12(8-18(17-9)7-10-4-5-10)13(19)11-3-2-6-16-14(11)15/h2-3,6,8,10,13,19H,4-5,7H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol?
(2-chloro-3-pyridinyl)-[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methanol has a molecular weight of 277.75 g/mol, XLogP of 2.73, 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)-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 164719165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).