(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C16H21N5O — CID 175652313

IUPAC(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(c3cncc(C)n3)C2)cn1
InChIInChI=1S/C16H21N5O/c1-3-21-11-14(8-18-21)16(22)20-6-4-5-13(10-20)15-9-17-7-12(2)19-15/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyANLALDPECRQWJH-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.02
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 175652313) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID175652313
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(c3cncc(C)n3)C2)cn1
InChIInChI=1S/C16H21N5O/c1-3-21-11-14(8-18-21)16(22)20-6-4-5-13(10-20)15-9-17-7-12(2)19-15/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyANLALDPECRQWJH-UHFFFAOYSA-N
XLogP2.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 124953187
1-methyl-5-[3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]pyridin-2-one
CID 110102509
(1-ethylpyrazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124980360
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124940492
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 125025117
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 175652313) is (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC(c3cncc(C)n3)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is ANLALDPECRQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-21-11-14(8-18-21)16(22)20-6-4-5-13(10-20)15-9-17-7-12(2)19-15/h7-9,11,13H,3-6,10H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).