1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide

C12H13ClN4O — CID 102663306

IUPAC1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
SMILESNCc1ccc(Cn2cc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C12H13ClN4O/c13-11-3-8(4-14)1-2-9(11)6-17-7-10(5-16-17)12(15)18/h1-3,5,7H,4,6,14H2,(H2,15,18)
InChIKeyRZUAOAMGGZLQPD-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.14
Rot. Bonds4

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

1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide (PubChem CID 102663306) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
PubChem CID102663306
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
SMILESNCc1ccc(Cn2cc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C12H13ClN4O/c13-11-3-8(4-14)1-2-9(11)6-17-7-10(5-16-17)12(15)18/h1-3,5,7H,4,6,14H2,(H2,15,18)
InChIKeyRZUAOAMGGZLQPD-UHFFFAOYSA-N
XLogP1.14
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-4-[(4-iodopyrazol-1-yl)methyl]phenyl]methanamine
CID 102663301
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 174752138
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 141321250
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrazol-4-yl]propan-1-one
CID 106869688
1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide
CID 174752216
1-[[3-chloro-4-(2-methoxy-2-oxoethyl)phenyl]methyl]pyrazole-4-carboxylic acid
CID 171090516
4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-3-chlorobenzonitrile
CID 102669740
1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 63577990
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide (CID 102663306) is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide is NCc1ccc(Cn2cc(C(N)=O)cn2)c(Cl)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RZUAOAMGGZLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-11-3-8(4-14)1-2-9(11)6-17-7-10(5-16-17)12(15)18/h1-3,5,7H,4,6,14H2,(H2,15,18).
What are the key properties of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide?
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 102663306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).