chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide

C19H20ClFN4O — CID 171540298

IUPACchlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
SMILESClc1ccccc1.NC(=O)CCNCc1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C13H15FN4O.C6H5Cl/c14-11-4-2-1-3-10(11)13-9(8-17-18-13)7-16-6-5-12(15)19;7-6-4-2-1-3-5-6/h1-4,8,16H,5-7H2,(H2,15,19)(H,17,18);1-5H
InChIKeySAUGRCKEGPQTLU-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.52
Rot. Bonds6

About chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide

chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide (PubChem CID 171540298) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound Namechlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
PubChem CID171540298
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Namechlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
SMILESClc1ccccc1.NC(=O)CCNCc1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C13H15FN4O.C6H5Cl/c14-11-4-2-1-3-10(11)13-9(8-17-18-13)7-16-6-5-12(15)19;7-6-4-2-1-3-5-6/h1-4,8,16H,5-7H2,(H2,15,19)(H,17,18);1-5H
InChIKeySAUGRCKEGPQTLU-UHFFFAOYSA-N
XLogP3.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540373
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
N-(3-amino-3-oxopropyl)-5-(2-cyclopropyl-6-fluorophenyl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540110
N-(3-amino-3-oxopropyl)-5-(1H-indol-7-yl)-1H-pyrazole-4-carboxamide;chlorobenzene
CID 171540349
5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539156
4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]butanamide
CID 60863763
2-[3-[4-[(3-amino-3-oxopropyl)carbamoyl]-1H-pyrazol-5-yl]-4-fluorophenyl]acetic acid
CID 171539676
N-(3-amino-3-oxopropyl)-5-(2,5-difluorophenyl)-1H-pyrazole-4-carboxamide
CID 171539134
3-(3-chlorophenyl)-3-formamidopropanamide;5-(2-fluorophenyl)-4-methyl-1H-pyrazole
CID 170952101
1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126788095
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484990

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide?
The IUPAC name of chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide (CID 171540298) is chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide is Clc1ccccc1.NC(=O)CCNCc1cn[nH]c1-c1ccccc1F.
What is the InChIKey of chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide?
The InChIKey is SAUGRCKEGPQTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O.C6H5Cl/c14-11-4-2-1-3-10(11)13-9(8-17-18-13)7-16-6-5-12(15)19;7-6-4-2-1-3-5-6/h1-4,8,16H,5-7H2,(H2,15,19)(H,17,18);1-5H.
What are the key properties of chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide?
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide has a molecular weight of 374.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 171540298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).