2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one

C15H23N7O — CID 146461065

IUPAC2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)n1cc(C2CCNCC2)c(Cc2nn[nH]n2)n1
InChIInChI=1S/C15H23N7O/c1-15(2,3)14(23)22-9-11(10-4-6-16-7-5-10)12(19-22)8-13-17-20-21-18-13/h9-10,16H,4-8H2,1-3H3,(H,17,18,20,21)
InChIKeyQWNRQTMRKFZBHY-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.14
Rot. Bonds3

About 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one

2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one (PubChem CID 146461065) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one
PubChem CID146461065
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)n1cc(C2CCNCC2)c(Cc2nn[nH]n2)n1
InChIInChI=1S/C15H23N7O/c1-15(2,3)14(23)22-9-11(10-4-6-16-7-5-10)12(19-22)8-13-17-20-21-18-13/h9-10,16H,4-8H2,1-3H3,(H,17,18,20,21)
InChIKeyQWNRQTMRKFZBHY-UHFFFAOYSA-N
XLogP1.14
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one with MolForge

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Related Compounds

4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 177245975
1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid
CID 84676920
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483
tert-butyl 1-methyl-3-piperidin-4-ylpyrazole-5-carboxylate
CID 125458178
4-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090460
4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090482
1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
CID 174757890
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
4-(2H-tetrazol-5-ylmethoxy)piperidine
CID 130589922
4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090519

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one (CID 146461065) is 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one is CC(C)(C)C(=O)n1cc(C2CCNCC2)c(Cc2nn[nH]n2)n1.
What is the InChIKey of 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one?
The InChIKey is QWNRQTMRKFZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-15(2,3)14(23)22-9-11(10-4-6-16-7-5-10)12(19-22)8-13-17-20-21-18-13/h9-10,16H,4-8H2,1-3H3,(H,17,18,20,21).
What are the key properties of 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one?
2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one has a molecular weight of 317.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 146461065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).