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

C8H14N4O — CID 4133207

IUPAC4-amino-1-methyl-5-propylpyrazole-3-carboxamide
SMILESCCCc1c(N)c(C(N)=O)nn1C
InChIInChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)11-12(5)2/h3-4,9H2,1-2H3,(H2,10,13)
InChIKeyJTJPGTZETAVXAY-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.05
Rot. Bonds3

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

4-amino-1-methyl-5-propylpyrazole-3-carboxamide (PubChem CID 4133207) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-1-methyl-5-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-5-propylpyrazole-3-carboxamide
PubChem CID4133207
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-1-methyl-5-propylpyrazole-3-carboxamide
SMILESCCCc1c(N)c(C(N)=O)nn1C
InChIInChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)11-12(5)2/h3-4,9H2,1-2H3,(H2,10,13)
InChIKeyJTJPGTZETAVXAY-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-propylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-5-propylpyrazole-3-carboxamide (CID 4133207) is 4-amino-1-methyl-5-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-5-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-5-propylpyrazole-3-carboxamide is CCCc1c(N)c(C(N)=O)nn1C.
What is the InChIKey of 4-amino-1-methyl-5-propylpyrazole-3-carboxamide?
The InChIKey is JTJPGTZETAVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)11-12(5)2/h3-4,9H2,1-2H3,(H2,10,13).
What are the key properties of 4-amino-1-methyl-5-propylpyrazole-3-carboxamide?
4-amino-1-methyl-5-propylpyrazole-3-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-5-propylpyrazole-3-carboxamide is sourced from PubChem (CID 4133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).