N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide

C17H28N4O2 — CID 95750996

IUPACN-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCOc1c([C@@H]2CCCN2CC(=O)N(C)CC2CC2)c(C)nn1C
InChIInChI=1S/C17H28N4O2/c1-12-16(17(23-4)20(3)18-12)14-6-5-9-21(14)11-15(22)19(2)10-13-7-8-13/h13-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyKFIJWXZNQJVVPP-AWEZNQCLSA-N
MW320.44 g/mol
LogP1.74
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide

N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 95750996) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID95750996
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCOc1c([C@@H]2CCCN2CC(=O)N(C)CC2CC2)c(C)nn1C
InChIInChI=1S/C17H28N4O2/c1-12-16(17(23-4)20(3)18-12)14-6-5-9-21(14)11-15(22)19(2)10-13-7-8-13/h13-14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyKFIJWXZNQJVVPP-AWEZNQCLSA-N
XLogP1.74
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 100842100
5-methoxy-1,3-dimethyl-4-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]pyrazole
CID 129461187
5-methoxy-4-[(2R)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-1,3-dimethylpyrazole
CID 95750913
(1S)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 100842107
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842121
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
(2S)-1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 95750946
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95750435
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95750977
(1S)-1-(2-chlorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842127
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 95751027
2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 95751032

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide (CID 95750996) is N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide is COc1c([C@@H]2CCCN2CC(=O)N(C)CC2CC2)c(C)nn1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is KFIJWXZNQJVVPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-16(17(23-4)20(3)18-12)14-6-5-9-21(14)11-15(22)19(2)10-13-7-8-13/h13-14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide?
N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 320.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 95750996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).