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

C17H28N4O2 — CID 110203742

IUPAC(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cnn(C(C)C)c2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C17H28N4O2/c1-12(2)21-8-13(6-18-21)7-20-9-14(11-23-3)16(10-20)17(22)19-15-4-5-15/h6,8,12,14-16H,4-5,7,9-11H2,1-3H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyLSFJMGFRFZPJGN-GOEBONIOSA-N
MW320.44 g/mol
LogP1.44
Rot. Bonds7

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

(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110203742) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110203742
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(Cc2cnn(C(C)C)c2)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C17H28N4O2/c1-12(2)21-8-13(6-18-21)7-20-9-14(11-23-3)16(10-20)17(22)19-15-4-5-15/h6,8,12,14-16H,4-5,7,9-11H2,1-3H3,(H,19,22)/t14-,16+/m0/s1
InChIKeyLSFJMGFRFZPJGN-GOEBONIOSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422243
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
N-{4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923204
N~1~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-2-(4-methyl-1H-pyrazol-1-YL)acetamide
CID 91923207
(3S,4S)-1-(1-ethylpyrazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203516
(3S,4S)-4-(methoxymethyl)-N-methyl-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 110203520
(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110203522
4-(Methoxymethyl)-N-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110203525
(3S,4S)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(methoxymethyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 110203558
(3S,4S)-4-(methoxymethyl)-N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 110203560
N-Cyclopropyl-1-[(1,3-dimethyl-1H-pyrazol-4-YL)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203743

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 110203742) is (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is COC[C@@H]1CN(Cc2cnn(C(C)C)c2)C[C@H]1C(=O)NC1CC1.
What is the InChIKey of (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LSFJMGFRFZPJGN-GOEBONIOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)21-8-13(6-18-21)7-20-9-14(11-23-3)16(10-20)17(22)19-15-4-5-15/h6,8,12,14-16H,4-5,7,9-11H2,1-3H3,(H,19,22)/t14-,16+/m0/s1.
What are the key properties of (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).