[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

C19H30N4O — CID 124742151

IUPAC[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESC[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1
InChIInChI=1S/C19H30N4O/c1-13-6-7-14(2)23(13)16-5-4-8-22(12-16)19(24)18-9-17(18)15-10-20-21(3)11-15/h10-11,13-14,16-18H,4-9,12H2,1-3H3/t13-,14+,16-,17+,18-/m1/s1
InChIKeyXEZZWQOKBYEFAK-QKGUJMCYSA-N
MW330.48 g/mol
LogP2.39
Rot. Bonds3

About [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 124742151) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID124742151
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESC[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1
InChIInChI=1S/C19H30N4O/c1-13-6-7-14(2)23(13)16-5-4-8-22(12-16)19(24)18-9-17(18)15-10-20-21(3)11-15/h10-11,13-14,16-18H,4-9,12H2,1-3H3/t13-,14+,16-,17+,18-/m1/s1
InChIKeyXEZZWQOKBYEFAK-QKGUJMCYSA-N
XLogP2.39
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 95781157
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590717
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334365
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95334362
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone
CID 120941917
[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 95590974
[(1R,2R)-2-phenylcyclopropyl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 100840660
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 124742151) is [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1.
What is the InChIKey of [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is XEZZWQOKBYEFAK-QKGUJMCYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13-6-7-14(2)23(13)16-5-4-8-22(12-16)19(24)18-9-17(18)15-10-20-21(3)11-15/h10-11,13-14,16-18H,4-9,12H2,1-3H3/t13-,14+,16-,17+,18-/m1/s1.
What are the key properties of [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone has a molecular weight of 330.48 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 124742151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).