(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C16H21N5O — CID 95845498

IUPAC(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-17-8-15(18-11)13-5-4-6-21(9-13)16(22)14-10-20(3)19-12(14)2/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyUWWLUDFGNHPMLX-CYBMUJFWSA-N
MW299.38 g/mol
LogP1.85
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 95845498) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID95845498
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C16H21N5O/c1-11-7-17-8-15(18-11)13-5-4-6-21(9-13)16(22)14-10-20(3)19-12(14)2/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1
InChIKeyUWWLUDFGNHPMLX-CYBMUJFWSA-N
XLogP1.85
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 175652313
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 127246198
(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252635
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
3-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 124971956
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
(1,3-dimethylpyrazol-4-yl)-[3-(5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110235100
[3-(6-methylpyrazin-2-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127246156

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 95845498) is (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)n1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is UWWLUDFGNHPMLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-7-17-8-15(18-11)13-5-4-6-21(9-13)16(22)14-10-20(3)19-12(14)2/h7-8,10,13H,4-6,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95845498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).