(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone

C11H17N3O — CID 82932269

IUPAC(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone
SMILESNc1[nH]ncc1C(=O)C1CCCCCC1
InChIInChI=1S/C11H17N3O/c12-11-9(7-13-14-11)10(15)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyCPVAUPVOPBKXFH-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.14
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone

(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone (PubChem CID 82932269) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone
PubChem CID82932269
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone
SMILESNc1[nH]ncc1C(=O)C1CCCCCC1
InChIInChI=1S/C11H17N3O/c12-11-9(7-13-14-11)10(15)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyCPVAUPVOPBKXFH-UHFFFAOYSA-N
XLogP2.14
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone (CID 82932269) is (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone is Nc1[nH]ncc1C(=O)C1CCCCCC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone?
The InChIKey is CPVAUPVOPBKXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11-9(7-13-14-11)10(15)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,12,13,14).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone?
(5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone has a molecular weight of 207.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-cycloheptylmethanone is sourced from PubChem (CID 82932269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).