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

C8H14N4O — CID 63102288

IUPAC4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C8H14N4O/c1-3-4-12(2)8(13)7-6(9)5-10-11-7/h5H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyCQYYIYKWJLSSNG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.47
Rot. Bonds3

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

4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide (PubChem CID 63102288) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
PubChem CID63102288
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C8H14N4O/c1-3-4-12(2)8(13)7-6(9)5-10-11-7/h5H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyCQYYIYKWJLSSNG-UHFFFAOYSA-N
XLogP0.47
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63101976
methyl 4-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]butanoate
CID 55219475
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
CID 63103255
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63102316
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63103779
4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 63106676
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide (CID 63102288) is 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide is CCCN(C)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide?
The InChIKey is CQYYIYKWJLSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-12(2)8(13)7-6(9)5-10-11-7/h5H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide?
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).