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

C12H17N7O — CID 110196493

IUPAC(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC(c2nnnn2C)C1
InChIInChI=1S/C12H17N7O/c1-17-10(5-6-13-17)12(20)19-7-3-4-9(8-19)11-14-15-16-18(11)2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyJHFPXGNLIUHORM-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.04
Rot. Bonds2

About (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196493) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196493
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCC(c2nnnn2C)C1
InChIInChI=1S/C12H17N7O/c1-17-10(5-6-13-17)12(20)19-7-3-4-9(8-19)11-14-15-16-18(11)2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyJHFPXGNLIUHORM-UHFFFAOYSA-N
XLogP-0.04
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
3-(1-methyltetrazol-5-yl)-N-phenylpiperidine-1-carboxamide
CID 110196501
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967467
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
(2-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 175652651
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
(2-methylpyrazol-3-yl)-[3-(6-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 131669003
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493
4-[(3S)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92566228

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196493) is (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCC(c2nnnn2C)C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is JHFPXGNLIUHORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-17-10(5-6-13-17)12(20)19-7-3-4-9(8-19)11-14-15-16-18(11)2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 275.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).