2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide

C15H13F2N5O — CID 155948531

IUPAC2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)C(F)F
InChIInChI=1S/C15H13F2N5O/c16-14(17)15(23)20-13-6-7-18-22(13)10-11-8-19-21(9-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,23)
InChIKeyQVVSKZGCFJDBDW-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.32
Rot. Bonds5

About 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide

2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide (PubChem CID 155948531) has the molecular formula C15H13F2N5O and a molecular weight of 317.30 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
PubChem CID155948531
Molecular FormulaC15H13F2N5O
Molecular Weight317.30 g/mol
Exact Mass317.11
IUPAC Name2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)C(F)F
InChIInChI=1S/C15H13F2N5O/c16-14(17)15(23)20-13-6-7-18-22(13)10-11-8-19-21(9-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,23)
InChIKeyQVVSKZGCFJDBDW-UHFFFAOYSA-N
XLogP2.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 75433893
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55776558
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422
2-[(1-phenylpyrazol-4-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 75433632
(2S)-N-(2-benzylpyrazol-3-yl)-2-phenoxypropanamide
CID 30804831
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
3-methyl-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25456681
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621443
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-phenylbutanamide
CID 55396911
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide (CID 155948531) is 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide is O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is QVVSKZGCFJDBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O/c16-14(17)15(23)20-13-6-7-18-22(13)10-11-8-19-21(9-11)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,23).
What are the key properties of 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide?
2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 155948531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).