(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

C14H22N4O3 — CID 110203516

IUPAC(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCCn1cc(C(=O)N2C[C@@H](COC)[C@H](C(=O)NC)C2)cn1
InChIInChI=1S/C14H22N4O3/c1-4-18-7-10(5-16-18)14(20)17-6-11(9-21-3)12(8-17)13(19)15-2/h5,7,11-12H,4,6,8-9H2,1-3H3,(H,15,19)/t11-,12+/m0/s1
InChIKeyPFCWLRWYZGOIEC-NWDGAFQWSA-N
MW294.36 g/mol
LogP-0.02
Rot. Bonds5

About (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 110203516) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID110203516
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCCn1cc(C(=O)N2C[C@@H](COC)[C@H](C(=O)NC)C2)cn1
InChIInChI=1S/C14H22N4O3/c1-4-18-7-10(5-16-18)14(20)17-6-11(9-21-3)12(8-17)13(19)15-2/h5,7,11-12H,4,6,8-9H2,1-3H3,(H,15,19)/t11-,12+/m0/s1
InChIKeyPFCWLRWYZGOIEC-NWDGAFQWSA-N
XLogP-0.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-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 (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (CID 110203516) is (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is CCn1cc(C(=O)N2C[C@@H](COC)[C@H](C(=O)NC)C2)cn1.
What is the InChIKey of (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is PFCWLRWYZGOIEC-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-18-7-10(5-16-18)14(20)17-6-11(9-21-3)12(8-17)13(19)15-2/h5,7,11-12H,4,6,8-9H2,1-3H3,(H,15,19)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 294.36 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).