N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

C17H23ClN4O — CID 119498276

IUPACN-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cnn(-c2ccccc2)c1C1CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12(18)9-10-19-17(22)15-11-20-21(16(15)13-7-8-13)14-5-3-2-4-6-14;/h2-6,11-13H,7-10,18H2,1H3,(H,19,22);1H
InChIKeyJLVYICJESTVLEL-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.64
Rot. Bonds6

About N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119498276) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119498276
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cnn(-c2ccccc2)c1C1CC1.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-12(18)9-10-19-17(22)15-11-20-21(16(15)13-7-8-13)14-5-3-2-4-6-14;/h2-6,11-13H,7-10,18H2,1H3,(H,19,22);1H
InChIKeyJLVYICJESTVLEL-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119477727
5-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42949053
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336
N-(3-aminobutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119498889
5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 112816283
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
5-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 139012188
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053080
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718
5-cyclopropyl-1-phenyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyrazole-4-carboxamide
CID 112827858
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541281

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119498276) is N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cnn(-c2ccccc2)c1C1CC1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is JLVYICJESTVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-12(18)9-10-19-17(22)15-11-20-21(16(15)13-7-8-13)14-5-3-2-4-6-14;/h2-6,11-13H,7-10,18H2,1H3,(H,19,22);1H.
What are the key properties of N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119498276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).