5-amino-N-butyl-1-methylpyrazole-4-carboxamide

C9H16N4O — CID 80503275

IUPAC5-amino-N-butyl-1-methylpyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C9H16N4O/c1-3-4-5-11-9(14)7-6-12-13(2)8(7)10/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeySHKZRYYZDDCCAN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.53
Rot. Bonds4

About 5-amino-N-butyl-1-methylpyrazole-4-carboxamide

5-amino-N-butyl-1-methylpyrazole-4-carboxamide (PubChem CID 80503275) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-N-butyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-1-methylpyrazole-4-carboxamide
PubChem CID80503275
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-N-butyl-1-methylpyrazole-4-carboxamide
SMILESCCCCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C9H16N4O/c1-3-4-5-11-9(14)7-6-12-13(2)8(7)10/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeySHKZRYYZDDCCAN-UHFFFAOYSA-N
XLogP0.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
5-amino-1-methyl-N-[(1-propylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 104591802
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-butyl-1-methylpyrazole-4-carboxamide (CID 80503275) is 5-amino-N-butyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butyl-1-methylpyrazole-4-carboxamide is CCCCNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-butyl-1-methylpyrazole-4-carboxamide?
The InChIKey is SHKZRYYZDDCCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-5-11-9(14)7-6-12-13(2)8(7)10/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of 5-amino-N-butyl-1-methylpyrazole-4-carboxamide?
5-amino-N-butyl-1-methylpyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 80503275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).