(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide

C17H22N4O2 — CID 138010502

IUPAC(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1nccc1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C17H22N4O2/c1-20-12(6-7-18-20)10-13-4-2-8-21(13)17(22)19-15-11-14(15)16-5-3-9-23-16/h3,5-7,9,13-15H,2,4,8,10-11H2,1H3,(H,19,22)/t13-,14+,15+/m0/s1
InChIKeyVNNYMXOWMVHKIA-RRFJBIMHSA-N
MW314.39 g/mol
LogP2.29
Rot. Bonds4

About (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide

(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 138010502) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID138010502
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1nccc1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C17H22N4O2/c1-20-12(6-7-18-20)10-13-4-2-8-21(13)17(22)19-15-11-14(15)16-5-3-9-23-16/h3,5-7,9,13-15H,2,4,8,10-11H2,1H3,(H,19,22)/t13-,14+,15+/m0/s1
InChIKeyVNNYMXOWMVHKIA-RRFJBIMHSA-N
XLogP2.29
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 111427948
(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 138009259
N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 138017395
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56820630
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]-[(2R)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 155961496
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
1-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 99582849
methyl 1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxylate
CID 103014006
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide (CID 138010502) is (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide is Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is VNNYMXOWMVHKIA-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-12(6-7-18-20)10-13-4-2-8-21(13)17(22)19-15-11-14(15)16-5-3-9-23-16/h3,5-7,9,13-15H,2,4,8,10-11H2,1H3,(H,19,22)/t13-,14+,15+/m0/s1.
What are the key properties of (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide?
(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138010502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).