N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C21H20FN3O — CID 35367805

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H20FN3O/c22-20-9-5-4-6-17(20)15-24(18-10-11-18)21(26)12-16-13-23-25(14-16)19-7-2-1-3-8-19/h1-9,13-14,18H,10-12,15H2
InChIKeyQVPUMTYATOKYCE-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.75
Rot. Bonds6

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 35367805) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID35367805
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H20FN3O/c22-20-9-5-4-6-17(20)15-24(18-10-11-18)21(26)12-16-13-23-25(14-16)19-7-2-1-3-8-19/h1-9,13-14,18H,10-12,15H2
InChIKeyQVPUMTYATOKYCE-UHFFFAOYSA-N
XLogP3.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 33083677
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 131902906
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152365
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 35367805) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is QVPUMTYATOKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-20-9-5-4-6-17(20)15-24(18-10-11-18)21(26)12-16-13-23-25(14-16)19-7-2-1-3-8-19/h1-9,13-14,18H,10-12,15H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 35367805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).