(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide

C14H22N4O3 — CID 110203520

IUPAC(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1COC
InChIInChI=1S/C14H22N4O3/c1-15-14(20)12-9-17(8-11(12)10-21-2)13(19)4-7-18-6-3-5-16-18/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,15,20)/t11-,12+/m0/s1
InChIKeyMOHSDJIBYOGWNX-NWDGAFQWSA-N
MW294.35 g/mol
LogP-0.26
Rot. Bonds6

About (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 110203520) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID110203520
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1COC
InChIInChI=1S/C14H22N4O3/c1-15-14(20)12-9-17(8-11(12)10-21-2)13(19)4-7-18-6-3-5-16-18/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,15,20)/t11-,12+/m0/s1
InChIKeyMOHSDJIBYOGWNX-NWDGAFQWSA-N
XLogP-0.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide (CID 110203520) is (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)CCn2cccn2)C[C@H]1COC.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is MOHSDJIBYOGWNX-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-15-14(20)12-9-17(8-11(12)10-21-2)13(19)4-7-18-6-3-5-16-18/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,15,20)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).