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

C15H23N7O — CID 56715976

IUPAC1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)c1cc(C2CCN(C(=O)CCn3cnnn3)CC2)[nH]n1
InChIInChI=1S/C15H23N7O/c1-11(2)13-9-14(18-17-13)12-3-6-21(7-4-12)15(23)5-8-22-10-16-19-20-22/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyBMIZWJCISKUIKL-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.32
Rot. Bonds5

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

1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 56715976) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID56715976
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)c1cc(C2CCN(C(=O)CCn3cnnn3)CC2)[nH]n1
InChIInChI=1S/C15H23N7O/c1-11(2)13-9-14(18-17-13)12-3-6-21(7-4-12)15(23)5-8-22-10-16-19-20-22/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyBMIZWJCISKUIKL-UHFFFAOYSA-N
XLogP1.32
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 56715976) is 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is CC(C)c1cc(C2CCN(C(=O)CCn3cnnn3)CC2)[nH]n1.
What is the InChIKey of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is BMIZWJCISKUIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11(2)13-9-14(18-17-13)12-3-6-21(7-4-12)15(23)5-8-22-10-16-19-20-22/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 317.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 56715976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).