(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone

C23H30N4O — CID 58324687

IUPAC(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1[C@@H]1CCN(C(=O)c2cnn(C3CCNCC3)c2C2CC2)C1
InChIInChI=1S/C23H30N4O/c1-16-4-2-3-5-20(16)18-10-13-26(15-18)23(28)21-14-25-27(22(21)17-6-7-17)19-8-11-24-12-9-19/h2-5,14,17-19,24H,6-13,15H2,1H3/t18-/m1/s1
InChIKeyLHORLJOBQGCBJP-GOSISDBHSA-N
MW378.52 g/mol
LogP3.62
Rot. Bonds4

About (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone

(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 58324687) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID58324687
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1[C@@H]1CCN(C(=O)c2cnn(C3CCNCC3)c2C2CC2)C1
InChIInChI=1S/C23H30N4O/c1-16-4-2-3-5-20(16)18-10-13-26(15-18)23(28)21-14-25-27(22(21)17-6-7-17)19-8-11-24-12-9-19/h2-5,14,17-19,24H,6-13,15H2,1H3/t18-/m1/s1
InChIKeyLHORLJOBQGCBJP-GOSISDBHSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 58324687) is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1[C@@H]1CCN(C(=O)c2cnn(C3CCNCC3)c2C2CC2)C1.
What is the InChIKey of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is LHORLJOBQGCBJP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N4O/c1-16-4-2-3-5-20(16)18-10-13-26(15-18)23(28)21-14-25-27(22(21)17-6-7-17)19-8-11-24-12-9-19/h2-5,14,17-19,24H,6-13,15H2,1H3/t18-/m1/s1.
What are the key properties of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 58324687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).