1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C12H16N4O — CID 38026625

IUPAC1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C12H16N4O/c1-3-6-13-11(17)10-9-14-15(2)12(10)16-7-4-5-8-16/h4-5,7-9H,3,6H2,1-2H3,(H,13,17)
InChIKeyUBLUTJARBPZFJM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.35
Rot. Bonds4

About 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38026625) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38026625
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C12H16N4O/c1-3-6-13-11(17)10-9-14-15(2)12(10)16-7-4-5-8-16/h4-5,7-9H,3,6H2,1-2H3,(H,13,17)
InChIKeyUBLUTJARBPZFJM-UHFFFAOYSA-N
XLogP1.35
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38026625) is 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CCCNC(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is UBLUTJARBPZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-6-13-11(17)10-9-14-15(2)12(10)16-7-4-5-8-16/h4-5,7-9H,3,6H2,1-2H3,(H,13,17).
What are the key properties of 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38026625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).