N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride

C15H20Cl2N4O — CID 119584478

IUPACN-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1.Cl
InChIInChI=1S/C15H19ClN4O.ClH/c1-11(7-17)19(2)15(21)13-8-18-20(10-13)9-12-5-3-4-6-14(12)16;/h3-6,8,10-11H,7,9,17H2,1-2H3;1H
InChIKeySPGPVKAYKZLYRL-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.43
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119584478) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119584478
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC NameN-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1.Cl
InChIInChI=1S/C15H19ClN4O.ClH/c1-11(7-17)19(2)15(21)13-8-18-20(10-13)9-12-5-3-4-6-14(12)16;/h3-6,8,10-11H,7,9,17H2,1-2H3;1H
InChIKeySPGPVKAYKZLYRL-UHFFFAOYSA-N
XLogP2.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119656188
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide
CID 38077636
1-[(2-chlorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrazole-4-carboxamide
CID 51272609
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
N-[(2-chloro-5-nitrophenyl)methyl]-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 134016077
1-[(2-chlorophenyl)methyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrazole-4-carboxamide
CID 34391952
1-[(2-chlorophenyl)methyl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 55893248
[3-(1-aminoethyl)piperidin-1-yl]-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119596054
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
(4-aminopiperidin-1-yl)-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanone;hydrochloride
CID 119376171
1-[(2-chlorophenyl)methyl]-N-ethyl-N-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 18132117

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride (CID 119584478) is N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is SPGPVKAYKZLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.ClH/c1-11(7-17)19(2)15(21)13-8-18-20(10-13)9-12-5-3-4-6-14(12)16;/h3-6,8,10-11H,7,9,17H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-[(2-chlorophenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119584478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).