(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone

C14H21N7O — CID 166341739

IUPAC(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCC(C)c1cn[nH]c1C(=O)N1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C14H21N7O/c1-9(2)11-8-15-18-13(11)14(22)21-5-3-10(4-6-21)7-12-16-19-20-17-12/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17,19,20)
InChIKeyWNLFXOZSJMVNCA-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.14
Rot. Bonds4

About (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone

(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 166341739) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID166341739
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCC(C)c1cn[nH]c1C(=O)N1CCC(Cc2nn[nH]n2)CC1
InChIInChI=1S/C14H21N7O/c1-9(2)11-8-15-18-13(11)14(22)21-5-3-10(4-6-21)7-12-16-19-20-17-12/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17,19,20)
InChIKeyWNLFXOZSJMVNCA-UHFFFAOYSA-N
XLogP1.14
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,3-dimethylcyclobuten-1-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 166279880
(4-methyl-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 126798384
(2-hydroxy-5-methylphenyl)-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 166269968
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520
5-[(4-methylcyclohexyl)methyl]-2H-tetrazole
CID 91076976
[4-(aminomethyl)piperidin-1-yl]-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119423630
(4-bromo-1H-pyrazol-5-yl)-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 97317085
2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone
CID 167876282
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
(4-amino-1H-pyrazol-5-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796663
4-(2H-tetrazol-5-ylmethyl)thiane 1,1-dioxide
CID 141009426
cyclopropyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196456

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 166341739) is (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone is CC(C)c1cn[nH]c1C(=O)N1CCC(Cc2nn[nH]n2)CC1.
What is the InChIKey of (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WNLFXOZSJMVNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-9(2)11-8-15-18-13(11)14(22)21-5-3-10(4-6-21)7-12-16-19-20-17-12/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,17,19,20).
What are the key properties of (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
(4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 303.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1H-pyrazol-5-yl)-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166341739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).