5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide

C9H16N4O — CID 43159518

IUPAC5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O/c1-3-4-5-13(2)9(14)7-6-11-12-8(7)10/h6H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyPIMYFYHDGOHEKR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.86
Rot. Bonds4

About 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide

5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 43159518) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID43159518
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O/c1-3-4-5-13(2)9(14)7-6-11-12-8(7)10/h6H,3-5H2,1-2H3,(H3,10,11,12)
InChIKeyPIMYFYHDGOHEKR-UHFFFAOYSA-N
XLogP0.86
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43159428
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5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
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CID 79487631
1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
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4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
CID 65360495
5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112
N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206762
4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
4-amino-N-butyl-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081030
(5-amino-1H-pyrazol-4-yl)-ethylsulfonylmethanone
CID 117213601

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide (CID 43159518) is 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide is CCCCN(C)C(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is PIMYFYHDGOHEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-5-13(2)9(14)7-6-11-12-8(7)10/h6H,3-5H2,1-2H3,(H3,10,11,12).
What are the key properties of 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide?
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43159518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).