(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

C15H26N4O2 — CID 110203558

IUPAC(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCCn1cc(CN2C[C@@H](COC)[C@H](C(=O)N(C)C)C2)cn1
InChIInChI=1S/C15H26N4O2/c1-5-19-8-12(6-16-19)7-18-9-13(11-21-4)14(10-18)15(20)17(2)3/h6,8,13-14H,5,7,9-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyMHAIQHWVTMJVHM-UONOGXRCSA-N
MW294.40 g/mol
LogP0.69
Rot. Bonds6

About (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide

(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 110203558) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID110203558
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCCn1cc(CN2C[C@@H](COC)[C@H](C(=O)N(C)C)C2)cn1
InChIInChI=1S/C15H26N4O2/c1-5-19-8-12(6-16-19)7-18-9-13(11-21-4)14(10-18)15(20)17(2)3/h6,8,13-14H,5,7,9-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyMHAIQHWVTMJVHM-UONOGXRCSA-N
XLogP0.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide (CID 110203558) is (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is CCn1cc(CN2C[C@@H](COC)[C@H](C(=O)N(C)C)C2)cn1.
What is the InChIKey of (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MHAIQHWVTMJVHM-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-19-8-12(6-16-19)7-18-9-13(11-21-4)14(10-18)15(20)17(2)3/h6,8,13-14H,5,7,9-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide?
(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).