(3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide

C16H26N4O2 — CID 110203741

IUPAC(3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C16H26N4O2/c1-11-6-14(19(2)18-11)8-20-7-12(10-22-3)15(9-20)16(21)17-13-4-5-13/h6,12-13,15H,4-5,7-10H2,1-3H3,(H,17,21)/t12-,15+/m0/s1
InChIKeyMBVRNBNEWLKKIZ-SWLSCSKDSA-N
MW306.41 g/mol
LogP0.70
Rot. Bonds6

About (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide

(3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide (PubChem CID 110203741) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
PubChem CID110203741
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C16H26N4O2/c1-11-6-14(19(2)18-11)8-20-7-12(10-22-3)15(9-20)16(21)17-13-4-5-13/h6,12-13,15H,4-5,7-10H2,1-3H3,(H,17,21)/t12-,15+/m0/s1
InChIKeyMBVRNBNEWLKKIZ-SWLSCSKDSA-N
XLogP0.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide (CID 110203741) is (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide is COC[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1C(=O)NC1CC1.
What is the InChIKey of (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide?
The InChIKey is MBVRNBNEWLKKIZ-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-6-14(19(2)18-11)8-20-7-12(10-22-3)15(9-20)16(21)17-13-4-5-13/h6,12-13,15H,4-5,7-10H2,1-3H3,(H,17,21)/t12-,15+/m0/s1.
What are the key properties of (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclopropyl-1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).