N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide

C20H17N5O — CID 17483211

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H17N5O/c26-20(17-7-9-19(10-8-17)24-12-4-11-22-24)21-13-16-14-23-25(15-16)18-5-2-1-3-6-18/h1-12,14-15H,13H2,(H,21,26)
InChIKeyMNYHDQCFFXVZSU-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.99
Rot. Bonds5

About N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide

N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide (PubChem CID 17483211) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
PubChem CID17483211
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H17N5O/c26-20(17-7-9-19(10-8-17)24-12-4-11-22-24)21-13-16-14-23-25(15-16)18-5-2-1-3-6-18/h1-12,14-15H,13H2,(H,21,26)
InChIKeyMNYHDQCFFXVZSU-UHFFFAOYSA-N
XLogP2.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72851855
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824669
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide (CID 17483211) is N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide is O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is MNYHDQCFFXVZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(17-7-9-19(10-8-17)24-12-4-11-22-24)21-13-16-14-23-25(15-16)18-5-2-1-3-6-18/h1-12,14-15H,13H2,(H,21,26).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide?
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 343.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 17483211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).