[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C17H19N7O — CID 95282434

IUPAC[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)c1
InChIInChI=1S/C17H19N7O/c1-13-9-19-23(10-13)16-6-3-7-22(11-16)17(25)14-4-2-5-15(8-14)24-12-18-20-21-24/h2,4-5,8-10,12,16H,3,6-7,11H2,1H3/t16-/m1/s1
InChIKeyVBSJZRCCWKJJOD-MRXNPFEDSA-N
MW337.39 g/mol
LogP1.64
Rot. Bonds3

About [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 95282434) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID95282434
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCc1cnn([C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)c1
InChIInChI=1S/C17H19N7O/c1-13-9-19-23(10-13)16-6-3-7-22(11-16)17(25)14-4-2-5-15(8-14)24-12-18-20-21-24/h2,4-5,8-10,12,16H,3,6-7,11H2,1H3/t16-/m1/s1
InChIKeyVBSJZRCCWKJJOD-MRXNPFEDSA-N
XLogP1.64
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 86905763
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 95282434) is [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)c1.
What is the InChIKey of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is VBSJZRCCWKJJOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N7O/c1-13-9-19-23(10-13)16-6-3-7-22(11-16)17(25)14-4-2-5-15(8-14)24-12-18-20-21-24/h2,4-5,8-10,12,16H,3,6-7,11H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 337.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 95282434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).