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

C13H15ClN4O — CID 81166253

IUPAC1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
SMILESCC(N)Cc1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8(15)4-9-2-3-12(11(14)5-9)18-7-10(6-17-18)13(16)19/h2-3,5-8H,4,15H2,1H3,(H2,16,19)
InChIKeyNIAPARNUGYTFCZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.51
Rot. Bonds4

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

1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide (PubChem CID 81166253) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
PubChem CID81166253
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide
SMILESCC(N)Cc1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8(15)4-9-2-3-12(11(14)5-9)18-7-10(6-17-18)13(16)19/h2-3,5-8H,4,15H2,1H3,(H2,16,19)
InChIKeyNIAPARNUGYTFCZ-UHFFFAOYSA-N
XLogP1.51
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
CID 64782909
1-[4-(2-aminobutyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 64780077
1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
CID 114862569
1-[3-chloro-4-(4-chloro-3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 81166623
1-[1-(2-chlorophenyl)pyrazol-4-yl]propan-2-amine
CID 83896850
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
CID 64780258
1-[2-(1-aminoethyl)-5-bromophenyl]pyrazole-4-carboxamide
CID 82976424
1-(2-carbamothioyl-3-chlorophenyl)pyrazole-4-carboxamide
CID 64781974
1-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63815553
1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
CID 103959164
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenyl]pyrazole-4-carboxamide
CID 64782545

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide (CID 81166253) is 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide is CC(N)Cc1ccc(-n2cc(C(N)=O)cn2)c(Cl)c1.
What is the InChIKey of 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide?
The InChIKey is NIAPARNUGYTFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(15)4-9-2-3-12(11(14)5-9)18-7-10(6-17-18)13(16)19/h2-3,5-8H,4,15H2,1H3,(H2,16,19).
What are the key properties of 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide?
1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopropyl)-2-chlorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 81166253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).