(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

C17H23N5O — CID 95281794

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cnn(C)c3C3CC3)C2)c1
InChIInChI=1S/C17H23N5O/c1-12-8-19-22(10-12)14-4-3-7-21(11-14)17(23)15-9-18-20(2)16(15)13-5-6-13/h8-10,13-14H,3-7,11H2,1-2H3/t14-/m0/s1
InChIKeyOGYWNYHNEWNKKG-AWEZNQCLSA-N
MW313.41 g/mol
LogP2.28
Rot. Bonds3

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

(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95281794) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95281794
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cnn(C)c3C3CC3)C2)c1
InChIInChI=1S/C17H23N5O/c1-12-8-19-22(10-12)14-4-3-7-21(11-14)17(23)15-9-18-20(2)16(15)13-5-6-13/h8-10,13-14H,3-7,11H2,1-2H3/t14-/m0/s1
InChIKeyOGYWNYHNEWNKKG-AWEZNQCLSA-N
XLogP2.28
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779764
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 95282732
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 95287275
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95383314

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95281794) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@H]2CCCN(C(=O)c3cnn(C)c3C3CC3)C2)c1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is OGYWNYHNEWNKKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-8-19-22(10-12)14-4-3-7-21(11-14)17(23)15-9-18-20(2)16(15)13-5-6-13/h8-10,13-14H,3-7,11H2,1-2H3/t14-/m0/s1.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 313.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95281794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).