[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

C17H20N4O — CID 95349545

IUPAC[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H20N4O/c22-17(16-10-15(16)13-4-1-6-18-11-13)21-9-2-5-14(21)12-20-8-3-7-19-20/h1,3-4,6-8,11,14-16H,2,5,9-10,12H2/t14-,15+,16-/m1/s1
InChIKeyCZCIFPNIHRINIZ-OWCLPIDISA-N
MW296.37 g/mol
LogP2.07
Rot. Bonds4

About [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 95349545) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID95349545
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H20N4O/c22-17(16-10-15(16)13-4-1-6-18-11-13)21-9-2-5-14(21)12-20-8-3-7-19-20/h1,3-4,6-8,11,14-16H,2,5,9-10,12H2/t14-,15+,16-/m1/s1
InChIKeyCZCIFPNIHRINIZ-OWCLPIDISA-N
XLogP2.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone with MolForge

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Related Compounds

[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95339200
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129448702
[(1R,2R)-2-(3-methylphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95346973
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95352987
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95317608
[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95346461
[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129428643
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (CID 95349545) is [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1cccnc1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is CZCIFPNIHRINIZ-OWCLPIDISA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(16-10-15(16)13-4-1-6-18-11-13)21-9-2-5-14(21)12-20-8-3-7-19-20/h1,3-4,6-8,11,14-16H,2,5,9-10,12H2/t14-,15+,16-/m1/s1.
What are the key properties of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 95349545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).