1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide

C17H24N4O — CID 95222062

IUPAC1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N(C)[C@@H](C)c1ccncc1
InChIInChI=1S/C17H24N4O/c1-6-21-16(11-15(19-21)12(2)3)17(22)20(5)13(4)14-7-9-18-10-8-14/h7-13H,6H2,1-5H3/t13-/m0/s1
InChIKeyYIAZZBLFSQYWHP-ZDUSSCGKSA-N
MW300.41 g/mol
LogP3.25
Rot. Bonds5

About 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide

1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide (PubChem CID 95222062) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
PubChem CID95222062
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N(C)[C@@H](C)c1ccncc1
InChIInChI=1S/C17H24N4O/c1-6-21-16(11-15(19-21)12(2)3)17(22)20(5)13(4)14-7-9-18-10-8-14/h7-13H,6H2,1-5H3/t13-/m0/s1
InChIKeyYIAZZBLFSQYWHP-ZDUSSCGKSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide (CID 95222062) is 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H](C)c1ccncc1.
What is the InChIKey of 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
The InChIKey is YIAZZBLFSQYWHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O/c1-6-21-16(11-15(19-21)12(2)3)17(22)20(5)13(4)14-7-9-18-10-8-14/h7-13H,6H2,1-5H3/t13-/m0/s1.
What are the key properties of 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide?
1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-3-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 95222062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).