1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide

C14H17ClN4O — CID 114862569

IUPAC1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
SMILESCCC(N)Cc1cc(Cl)ccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C14H17ClN4O/c1-2-12(16)6-9-5-11(15)3-4-13(9)19-8-10(7-18-19)14(17)20/h3-5,7-8,12H,2,6,16H2,1H3,(H2,17,20)
InChIKeyDJOMMPVAUGOWMP-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.90
Rot. Bonds5

About 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide

1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide (PubChem CID 114862569) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
PubChem CID114862569
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
SMILESCCC(N)Cc1cc(Cl)ccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C14H17ClN4O/c1-2-12(16)6-9-5-11(15)3-4-13(9)19-8-10(7-18-19)14(17)20/h3-5,7-8,12H,2,6,16H2,1H3,(H2,17,20)
InChIKeyDJOMMPVAUGOWMP-UHFFFAOYSA-N
XLogP1.90
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 64780077
1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
CID 81166253
1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
CID 103959164
1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
CID 64782909
1-[5-bromo-2-(4-iodopyrazol-1-yl)phenyl]butan-2-amine
CID 114061997
ethyl 1-(2-carbamothioyl-4-chlorophenyl)pyrazole-4-carboxylate
CID 81499001
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide
CID 64781223
1-[5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862477
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide (CID 114862569) is 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide is CCC(N)Cc1cc(Cl)ccc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide?
The InChIKey is DJOMMPVAUGOWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-12(16)6-9-5-11(15)3-4-13(9)19-8-10(7-18-19)14(17)20/h3-5,7-8,12H,2,6,16H2,1H3,(H2,17,20).
What are the key properties of 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide?
1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 114862569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).