(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide

C14H17BrClN3O — CID 117068317

IUPAC(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide
SMILESBr.CCCn1nc(C)c(C(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C14H16ClN3O.BrH/c1-3-8-18-14(16)12(9(2)17-18)13(19)10-6-4-5-7-11(10)15;/h4-7H,3,8,16H2,1-2H3;1H
InChIKeyVNWLGFXPRMVFSN-UHFFFAOYSA-N
MW358.67 g/mol
LogP3.65
Rot. Bonds4

About (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide

(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide (PubChem CID 117068317) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide.

Molecular Properties

Compound Name(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide
PubChem CID117068317
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide
SMILESBr.CCCn1nc(C)c(C(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C14H16ClN3O.BrH/c1-3-8-18-14(16)12(9(2)17-18)13(19)10-6-4-5-7-11(10)15;/h4-7H,3,8,16H2,1-2H3;1H
InChIKeyVNWLGFXPRMVFSN-UHFFFAOYSA-N
XLogP3.65
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 135371295
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 154148009
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
[4-(2-chlorobenzoyl)-1,3-dimethylpyrazol-5-yl] methyl carbonate
CID 12912180
(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone
CID 70448869
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2451343
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
(2-amino-4,5-dimethylthiophen-3-yl)-(2-chlorophenyl)methanone
CID 859637
5-amino-1-decyl-3-methylpyrazole-4-carboxamide
CID 21266075
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide?
The IUPAC name of (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide (CID 117068317) is (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide.
What is the SMILES notation for (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide?
The canonical SMILES for (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide is Br.CCCn1nc(C)c(C(=O)c2ccccc2Cl)c1N.
What is the InChIKey of (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide?
The InChIKey is VNWLGFXPRMVFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O.BrH/c1-3-8-18-14(16)12(9(2)17-18)13(19)10-6-4-5-7-11(10)15;/h4-7H,3,8,16H2,1-2H3;1H.
What are the key properties of (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide?
(5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide has a molecular weight of 358.67 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methyl-1-propylpyrazol-4-yl)-(2-chlorophenyl)methanone;hydrobromide is sourced from PubChem (CID 117068317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).