1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide

C16H28N4O — CID 78977040

IUPAC1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCC(C)C)C2CC2)cnn1CCCN
InChIInChI=1S/C16H28N4O/c1-12(2)7-10-19(14-5-6-14)16(21)15-11-18-20(13(15)3)9-4-8-17/h11-12,14H,4-10,17H2,1-3H3
InChIKeyNALXXBNAFJJHSQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.19
Rot. Bonds8

About 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide

1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide (PubChem CID 78977040) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
PubChem CID78977040
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCC(C)C)C2CC2)cnn1CCCN
InChIInChI=1S/C16H28N4O/c1-12(2)7-10-19(14-5-6-14)16(21)15-11-18-20(13(15)3)9-4-8-17/h11-12,14H,4-10,17H2,1-3H3
InChIKeyNALXXBNAFJJHSQ-UHFFFAOYSA-N
XLogP2.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-1,5-dimethylpyrazole-4-carboxamide
CID 43319374
1-(3-aminopropyl)-N-[3-(dimethylamino)propyl]-N,5-dimethylpyrazole-4-carboxamide
CID 63695465
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
CID 63999032
4-amino-N-cyclopropyl-6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81239834
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957671
1-(3-aminopropyl)-5-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-carboxamide
CID 104758377
1-(3-aminopropyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylpyrazole-4-carboxamide
CID 107860485
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885886
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 72884307
4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
CID 119292359

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide (CID 78977040) is 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide is Cc1c(C(=O)N(CCC(C)C)C2CC2)cnn1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
The InChIKey is NALXXBNAFJJHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)7-10-19(14-5-6-14)16(21)15-11-18-20(13(15)3)9-4-8-17/h11-12,14H,4-10,17H2,1-3H3.
What are the key properties of 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide?
1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-cyclopropyl-5-methyl-N-(3-methylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78977040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).