(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

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Related Compounds

CID 97422243
CID 97422243
CID 70731216
CID 70731216
CID 91922301
CID 91922301
CID 91922802
CID 91922802
CID 110203520
CID 110203520
CID 110203522
CID 110203522
CID 110203525
CID 110203525
CID 110203558
CID 110203558
CID 110203560
CID 110203560
CID 110203742
CID 110203742
CID 124052127
CID 124052127
CID 124052220
CID 124052220

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).