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

C19H18ClFN4O2 — CID 171540373

IUPACN-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2.C6H5Cl/c14-9-3-1-8(2-4-9)12-10(7-17-18-12)13(20)16-6-5-11(15)19;7-6-4-2-1-3-5-6/h1-4,7H,5-6H2,(H2,15,19)(H,16,20)(H,17,18);1-5H
InChIKeyQNQMAOFTMVQKJE-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.16
Rot. Bonds5

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

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene (PubChem CID 171540373) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
PubChem CID171540373
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC NameN-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
SMILESClc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2.C6H5Cl/c14-9-3-1-8(2-4-9)12-10(7-17-18-12)13(20)16-6-5-11(15)19;7-6-4-2-1-3-5-6/h1-4,7H,5-6H2,(H2,15,19)(H,16,20)(H,17,18);1-5H
InChIKeyQNQMAOFTMVQKJE-UHFFFAOYSA-N
XLogP3.16
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
N-(3-amino-3-oxopropyl)-5-pyridin-4-yl-1H-pyrazole-4-carboxamide
CID 171539842
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
N-(3-amino-3-oxopropyl)-5-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171539298
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene (CID 171540373) is N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene is Clc1ccccc1.NC(=O)CCNC(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
The InChIKey is QNQMAOFTMVQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2.C6H5Cl/c14-9-3-1-8(2-4-9)12-10(7-17-18-12)13(20)16-6-5-11(15)19;7-6-4-2-1-3-5-6/h1-4,7H,5-6H2,(H2,15,19)(H,16,20)(H,17,18);1-5H.
What are the key properties of N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene?
N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene has a molecular weight of 388.83 g/mol, XLogP of 3.16, 5 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-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene is sourced from PubChem (CID 171540373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).