1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

C18H17N7O — CID 75433893

IUPAC1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C18H17N7O/c1-23-13-15(10-20-23)18(26)22-17-7-8-19-25(17)12-14-9-21-24(11-14)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyISHUNBARINRXDO-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.10
Rot. Bonds5

About 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 75433893) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID75433893
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C18H17N7O/c1-23-13-15(10-20-23)18(26)22-17-7-8-19-25(17)12-14-9-21-24(11-14)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,26)
InChIKeyISHUNBARINRXDO-UHFFFAOYSA-N
XLogP2.10
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
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1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
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2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
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N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 62881880
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
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2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
N-(2-benzylphenyl)-1-methylpyrazole-4-carboxamide
CID 35294770
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55761860

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide (CID 75433893) is 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cn1.
What is the InChIKey of 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is ISHUNBARINRXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-23-13-15(10-20-23)18(26)22-17-7-8-19-25(17)12-14-9-21-24(11-14)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,26).
What are the key properties of 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 75433893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).