3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C17H19N5 — CID 82586468

IUPAC3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(Cc2cnn(-c3ccccc3)c2)c2c1CNCC2
InChIInChI=1S/C17H19N5/c1-13-16-10-18-8-7-17(16)22(20-13)12-14-9-19-21(11-14)15-5-3-2-4-6-15/h2-6,9,11,18H,7-8,10,12H2,1H3
InChIKeyMAASMQUFVAFEQS-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 82586468) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID82586468
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESCc1nn(Cc2cnn(-c3ccccc3)c2)c2c1CNCC2
InChIInChI=1S/C17H19N5/c1-13-16-10-18-8-7-17(16)22(20-13)12-14-9-19-21(11-14)15-5-3-2-4-6-15/h2-6,9,11,18H,7-8,10,12H2,1H3
InChIKeyMAASMQUFVAFEQS-UHFFFAOYSA-N
XLogP2.07
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422
3-methyl-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 130214355
5-bromo-6-methyl-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 66308350
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
1-phenyl-4-propylpyrazole
CID 12902534
4-[2-(1-phenylpyrazol-4-yl)ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 50965561
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
1-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrol-2-yl]ethanone
CID 79107228
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227
4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 79422857
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 82586468) is 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is Cc1nn(Cc2cnn(-c3ccccc3)c2)c2c1CNCC2.
What is the InChIKey of 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is MAASMQUFVAFEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-16-10-18-8-7-17(16)22(20-13)12-14-9-19-21(11-14)15-5-3-2-4-6-15/h2-6,9,11,18H,7-8,10,12H2,1H3.
What are the key properties of 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 293.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 82586468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).