4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

C13H24N4O — CID 113457627

IUPAC4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)C(C)(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-6-7-9-10(14)11(17-16-9)12(18)15-8(2)13(3,4)5/h8H,6-7,14H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyLUMVKSLTSIUOON-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.11
Rot. Bonds4

About 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 113457627) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID113457627
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)C(C)(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-6-7-9-10(14)11(17-16-9)12(18)15-8(2)13(3,4)5/h8H,6-7,14H2,1-5H3,(H,15,18)(H,16,17)
InChIKeyLUMVKSLTSIUOON-UHFFFAOYSA-N
XLogP2.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55034501
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CID 62075103
4-amino-5-propyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 62076755
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
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4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
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4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 106095333
4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 106208024
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CID 62076097
4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62075134
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 114092837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 113457627) is 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)C(C)(C)C)c1N.
What is the InChIKey of 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is LUMVKSLTSIUOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-9-10(14)11(17-16-9)12(18)15-8(2)13(3,4)5/h8H,6-7,14H2,1-5H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 113457627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).