4-amino-1-methyl-3-propylpyrazole-5-carboxamide

C8H14N4O — CID 3338044

IUPAC4-amino-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1N
InChIInChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)
InChIKeyPZMXDLWWQHYXGY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.05
Rot. Bonds3

About 4-amino-1-methyl-3-propylpyrazole-5-carboxamide

4-amino-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 3338044) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID3338044
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(C)c(C(N)=O)c1N
InChIInChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)
InChIKeyPZMXDLWWQHYXGY-UHFFFAOYSA-N
XLogP0.05
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide
CID 58802992
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-methylpropanamide
CID 66019658
4-amino-1-methyl-3-propylpyrazole-5-carbaldehyde
CID 175381778
2-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxybenzamide
CID 66017755
1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone
CID 66018435
3-(4-amino-1-methyl-3-propylpyrazol-5-yl)sulfanylpropan-1-ol
CID 66114934
1-methyl-3-propyl-5-propylsulfonylpyrazol-4-amine
CID 66016865
5-ethoxy-1-methyl-3-propylpyrazol-4-amine
CID 66019111
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N-methylpropanamide
CID 66017701
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol
CID 107864540
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
CID 174670115
3-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275315

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide (CID 3338044) is 4-amino-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1nn(C)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is PZMXDLWWQHYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13).
What are the key properties of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide?
4-amino-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 3338044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).