3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole

C20H20ClFN4O2 — CID 170952101

IUPAC3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1-c1ccccc1F.NC(=O)CC(NC=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O2.C10H9FN2/c11-8-3-1-2-7(4-8)9(13-6-14)5-10(12)15;1-7-6-12-13-10(7)8-4-2-3-5-9(8)11/h1-4,6,9H,5H2,(H2,12,15)(H,13,14);2-6H,1H3,(H,12,13)
InChIKeyDHWYQPRTVADMHN-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.53
Rot. Bonds6

About 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole

3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole (PubChem CID 170952101) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole
PubChem CID170952101
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC Name3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1-c1ccccc1F.NC(=O)CC(NC=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClN2O2.C10H9FN2/c11-8-3-1-2-7(4-8)9(13-6-14)5-10(12)15;1-7-6-12-13-10(7)8-4-2-3-5-9(8)11/h1-4,6,9H,5H2,(H2,12,15)(H,13,14);2-6H,1H3,(H,12,13)
InChIKeyDHWYQPRTVADMHN-UHFFFAOYSA-N
XLogP3.53
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2,4-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171540184
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2-fluoro-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 171539466
methyl 3-[4-[[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]carbamoyl]-1H-pyrazol-5-yl]-4-fluorobenzoate
CID 171539513
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-[2-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 171539830
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(3-propan-2-ylphenyl)-1H-pyrazole-4-carboxamide
CID 171539571
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
N-[(1R)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-[4-(prop-2-enoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 171540084
(3R)-3-(3-chlorophenyl)-3-(2-cyano-3-fluoroanilino)propanamide
CID 122148512
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 171539997
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-(2-prop-2-enoyl-3,4-dihydropyrazol-5-yl)-1H-pyrazole-4-carboxamide
CID 171539384
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide
CID 122148510
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole?
The IUPAC name of 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole (CID 170952101) is 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole.
What is the SMILES notation for 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole?
The canonical SMILES for 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole is Cc1cn[nH]c1-c1ccccc1F.NC(=O)CC(NC=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole?
The InChIKey is DHWYQPRTVADMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2.C10H9FN2/c11-8-3-1-2-7(4-8)9(13-6-14)5-10(12)15;1-7-6-12-13-10(7)8-4-2-3-5-9(8)11/h1-4,6,9H,5H2,(H2,12,15)(H,13,14);2-6H,1H3,(H,12,13).
What are the key properties of 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole?
3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole has a molecular weight of 402.86 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole is sourced from PubChem (CID 170952101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).