1-methyl-N,N-dipropylpyrazole-4-carboxamide

C11H19N3O — CID 51073390

IUPAC1-methyl-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-4-6-14(7-5-2)11(15)10-8-12-13(3)9-10/h8-9H,4-7H2,1-3H3
InChIKeyYYQPFSGDRZFYFP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds5

About 1-methyl-N,N-dipropylpyrazole-4-carboxamide

1-methyl-N,N-dipropylpyrazole-4-carboxamide (PubChem CID 51073390) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methyl-N,N-dipropylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N,N-dipropylpyrazole-4-carboxamide
PubChem CID51073390
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-methyl-N,N-dipropylpyrazole-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-4-6-14(7-5-2)11(15)10-8-12-13(3)9-10/h8-9H,4-7H2,1-3H3
InChIKeyYYQPFSGDRZFYFP-UHFFFAOYSA-N
XLogP1.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N,N-dipropylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N,N-dipropylpyrazole-4-carboxamide (CID 51073390) is 1-methyl-N,N-dipropylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N,N-dipropylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N,N-dipropylpyrazole-4-carboxamide is CCCN(CCC)C(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N,N-dipropylpyrazole-4-carboxamide?
The InChIKey is YYQPFSGDRZFYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-14(7-5-2)11(15)10-8-12-13(3)9-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-N,N-dipropylpyrazole-4-carboxamide?
1-methyl-N,N-dipropylpyrazole-4-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N,N-dipropylpyrazole-4-carboxamide is sourced from PubChem (CID 51073390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).