1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid

C19H21ClN4O2 — CID 72950602

IUPAC1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)nn12
InChIInChI=1S/C19H21ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,25,26)
InChIKeyWXJYXCBOQAHSHU-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.29
Rot. Bonds4

About 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid

1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 72950602) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID72950602
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)nn12
InChIInChI=1S/C19H21ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,25,26)
InChIKeyWXJYXCBOQAHSHU-UHFFFAOYSA-N
XLogP4.29
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

CID 72722417
CID 72722417
CID 72950439
CID 72950439
CID 72950604
CID 72950604
CID 72950605
CID 72950605
CID 72950767
CID 72950767
CID 123463167
CID 123463167
CID 137632486
CID 137632486
CID 137634540
CID 137634540
CID 137638600
CID 137638600
CID 137640239
CID 137640239
CID 137642144
CID 137642144
CID 137643436
CID 137643436

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 72950602) is 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(C3CCCCC3)nn12.
What is the InChIKey of 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is WXJYXCBOQAHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-12-7-18(19(25)26)21-23(12)11-16-9-14(20)8-15-10-17(22-24(15)16)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,25,26).
What are the key properties of 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 372.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 72950602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).