N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride

C16H23ClN4O — CID 119584582

IUPACN-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C(C)CN)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-12(9-17)19(3)16(21)15-10-18-20(13(15)2)11-14-7-5-4-6-8-14;/h4-8,10,12H,9,11,17H2,1-3H3;1H
InChIKeyAGPLUYSTCNLWFW-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.08
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119584582) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119584582
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C(C)CN)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-12(9-17)19(3)16(21)15-10-18-20(13(15)2)11-14-7-5-4-6-8-14;/h4-8,10,12H,9,11,17H2,1-3H3;1H
InChIKeyAGPLUYSTCNLWFW-UHFFFAOYSA-N
XLogP2.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-1-benzyl-N,5-dimethylpyrazole-4-carboxamide
CID 97260205
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N,1-dibenzyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 86897660
1-benzyl-N-(diaminomethylidene)-5-methylpyrazole-4-carboxamide
CID 22267704
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
N-(1-aminopropan-2-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119581708
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride (CID 119584582) is N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)N(C)C(C)CN)cnn1Cc1ccccc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is AGPLUYSTCNLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-12(9-17)19(3)16(21)15-10-18-20(13(15)2)11-14-7-5-4-6-8-14;/h4-8,10,12H,9,11,17H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.08, 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-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119584582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).