3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride

C18H26ClN5O2 — CID 119659251

IUPAC3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-12(2)14(19)9-10-22(3)18(25)15-11-16(17(20)24)23(21-15)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,19H2,1-3H3,(H2,20,24);1H
InChIKeyHNQBIYYUAMKHPX-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.84
Rot. Bonds7

About 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride

3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride (PubChem CID 119659251) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
PubChem CID119659251
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-12(2)14(19)9-10-22(3)18(25)15-11-16(17(20)24)23(21-15)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,19H2,1-3H3,(H2,20,24);1H
InChIKeyHNQBIYYUAMKHPX-UHFFFAOYSA-N
XLogP1.84
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119658366
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119659833
N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119661346
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119661310
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-1-(3-chlorophenyl)-N-methyl-5-propyltriazole-4-carboxamide;hydrochloride
CID 119658792
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride (CID 119659251) is 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl.
What is the InChIKey of 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The InChIKey is HNQBIYYUAMKHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-12(2)14(19)9-10-22(3)18(25)15-11-16(17(20)24)23(21-15)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10,19H2,1-3H3,(H2,20,24);1H.
What are the key properties of 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 119659251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).