N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride

C14H18Cl2N4O — CID 119582352

IUPACN-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccccc2Cl)n[nH]1.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-9(8-16)19(2)14(20)13-7-12(17-18-13)10-5-3-4-6-11(10)15;/h3-7,9H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyZVVOXIWPQBYWIJ-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.57
Rot. Bonds4

About N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 119582352) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID119582352
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC NameN-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(-c2ccccc2Cl)n[nH]1.Cl
InChIInChI=1S/C14H17ClN4O.ClH/c1-9(8-16)19(2)14(20)13-7-12(17-18-13)10-5-3-4-6-11(10)15;/h3-7,9H,8,16H2,1-2H3,(H,17,18);1H
InChIKeyZVVOXIWPQBYWIJ-UHFFFAOYSA-N
XLogP2.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride (CID 119582352) is N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(-c2ccccc2Cl)n[nH]1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is ZVVOXIWPQBYWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O.ClH/c1-9(8-16)19(2)14(20)13-7-12(17-18-13)10-5-3-4-6-11(10)15;/h3-7,9H,8,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 329.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).