5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide

C17H24N4O3 — CID 72870120

IUPAC5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1C
InChIInChI=1S/C17H24N4O3/c1-4-5-21-12(3)15(8-18-21)17(22)19-16-10-23-9-13(16)7-14-6-11(2)20-24-14/h6,8,13,16H,4-5,7,9-10H2,1-3H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyKVWNKRRHVVAUFQ-CJNGLKHVSA-N
MW332.40 g/mol
LogP1.89
Rot. Bonds6

About 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 72870120) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
PubChem CID72870120
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1C
InChIInChI=1S/C17H24N4O3/c1-4-5-21-12(3)15(8-18-21)17(22)19-16-10-23-9-13(16)7-14-6-11(2)20-24-14/h6,8,13,16H,4-5,7,9-10H2,1-3H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyKVWNKRRHVVAUFQ-CJNGLKHVSA-N
XLogP1.89
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-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 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide (CID 72870120) is 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1C.
What is the InChIKey of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is KVWNKRRHVVAUFQ-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-5-21-12(3)15(8-18-21)17(22)19-16-10-23-9-13(16)7-14-6-11(2)20-24-14/h6,8,13,16H,4-5,7,9-10H2,1-3H3,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72870120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).