(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C21H27N5O — CID 15947892

IUPAC(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(C2CCNCC2)c1C1CC1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C21H27N5O/c27-21(25-11-7-17(14-25)16-2-1-8-23-12-16)19-13-24-26(20(19)15-3-4-15)18-5-9-22-10-6-18/h1-2,8,12-13,15,17-18,22H,3-7,9-11,14H2
InChIKeyBPNDYJGZVPKAMM-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.71
Rot. Bonds4

About (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 15947892) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID15947892
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn(C2CCNCC2)c1C1CC1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C21H27N5O/c27-21(25-11-7-17(14-25)16-2-1-8-23-12-16)19-13-24-26(20(19)15-3-4-15)18-5-9-22-10-6-18/h1-2,8,12-13,15,17-18,22H,3-7,9-11,14H2
InChIKeyBPNDYJGZVPKAMM-UHFFFAOYSA-N
XLogP2.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 58838391
(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 58324687
(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 59170215
4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carbothioamide;hydroiodide
CID 140546271
(5-butyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170086
[5-cyclopropyl-1-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 58838464
2-[4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidin-1-yl]acetic acid
CID 58838376

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 15947892) is (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1cnn(C2CCNCC2)c1C1CC1)N1CCC(c2cccnc2)C1.
What is the InChIKey of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is BPNDYJGZVPKAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(25-11-7-17(14-25)16-2-1-8-23-12-16)19-13-24-26(20(19)15-3-4-15)18-5-9-22-10-6-18/h1-2,8,12-13,15,17-18,22H,3-7,9-11,14H2.
What are the key properties of (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
(5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-piperidin-4-ylpyrazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 15947892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).