(1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

C13H19N7O — CID 110196492

IUPAC(1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3nnnn3C)C2)n1
InChIInChI=1S/C13H19N7O/c1-3-20-8-6-11(15-20)13(21)19-7-4-5-10(9-19)12-14-16-17-18(12)2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyVRFAFHPOTSBLNC-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.45
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196492) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196492
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name(1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC(c3nnnn3C)C2)n1
InChIInChI=1S/C13H19N7O/c1-3-20-8-6-11(15-20)13(21)19-7-4-5-10(9-19)12-14-16-17-18(12)2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyVRFAFHPOTSBLNC-UHFFFAOYSA-N
XLogP0.45
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
4-ethyl-5-({1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56875666
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 72136181
(1-Propan-2-ylpyrazol-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72136185
1-[5-(1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}piperidin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 72844537
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110272191
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 118740247
(1-Methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)methanone
CID 118744477
(2-Methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
1-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)-3-(1-methyl-1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196495
3-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 53192205

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196492) is (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC(c3nnnn3C)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VRFAFHPOTSBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-3-20-8-6-11(15-20)13(21)19-7-4-5-10(9-19)12-14-16-17-18(12)2/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).