1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide

C9H16N4O — CID 89019714

IUPAC1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide
SMILESCCCc1nn(C)c(NC)c1C(N)=O
InChIInChI=1S/C9H16N4O/c1-4-5-6-7(8(10)14)9(11-2)13(3)12-6/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyDBABBVNHABIOKT-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds4

About 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide

1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide (PubChem CID 89019714) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide
PubChem CID89019714
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide
SMILESCCCc1nn(C)c(NC)c1C(N)=O
InChIInChI=1S/C9H16N4O/c1-4-5-6-7(8(10)14)9(11-2)13(3)12-6/h11H,4-5H2,1-3H3,(H2,10,14)
InChIKeyDBABBVNHABIOKT-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide (CID 89019714) is 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide is CCCc1nn(C)c(NC)c1C(N)=O.
What is the InChIKey of 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide?
The InChIKey is DBABBVNHABIOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-5-6-7(8(10)14)9(11-2)13(3)12-6/h11H,4-5H2,1-3H3,(H2,10,14).
What are the key properties of 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide?
1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylamino)-3-propylpyrazole-4-carboxamide is sourced from PubChem (CID 89019714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).