N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene

C22H22ClFN4O2 — CID 171540110

IUPACN-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1c(F)cccc1C1CC1
InChIInChI=1S/C16H17FN4O2.C6H5Cl/c17-12-3-1-2-10(9-4-5-9)14(12)15-11(8-20-21-15)16(23)19-7-6-13(18)22;7-6-4-2-1-3-5-6/h1-3,8-9H,4-7H2,(H2,18,22)(H,19,23)(H,20,21);1-5H
InChIKeyQMKUKZHAHMYSCY-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.04
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene

N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene (PubChem CID 171540110) has the molecular formula C22H22ClFN4O2 and a molecular weight of 428.90 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
PubChem CID171540110
Molecular FormulaC22H22ClFN4O2
Molecular Weight428.90 g/mol
Exact Mass428.14
IUPAC NameN-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1c(F)cccc1C1CC1
InChIInChI=1S/C16H17FN4O2.C6H5Cl/c17-12-3-1-2-10(9-4-5-9)14(12)15-11(8-20-21-15)16(23)19-7-6-13(18)22;7-6-4-2-1-3-5-6/h1-3,8-9H,4-7H2,(H2,18,22)(H,19,23)(H,20,21);1-5H
InChIKeyQMKUKZHAHMYSCY-UHFFFAOYSA-N
XLogP4.04
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539298
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
N-(3-amino-3-oxopropyl)-5-[2-(prop-2-enoylamino)ethynyl]-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539175
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 171539842
chlorobenzene;5-(3,6-difluoro-2-methylphenyl)-N-[2-[4-(dimethylamino)-2-pyridinyl]ethyl]-1H-pyrazole-4-carboxamide
CID 176995772
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carboxamide;chlorobenzene
CID 171539568

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene (CID 171540110) is N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene is Clc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1c(F)cccc1C1CC1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The InChIKey is QMKUKZHAHMYSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2.C6H5Cl/c17-12-3-1-2-10(9-4-5-9)14(12)15-11(8-20-21-15)16(23)19-7-6-13(18)22;7-6-4-2-1-3-5-6/h1-3,8-9H,4-7H2,(H2,18,22)(H,19,23)(H,20,21);1-5H.
What are the key properties of N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene has a molecular weight of 428.90 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene is sourced from PubChem (CID 171540110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).