7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone

C14H20N2O — CID 114972299

IUPAC7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1C2CCCCC21
InChIInChI=1S/C14H20N2O/c1-2-9-16-12(7-8-15-16)14(17)13-10-5-3-4-6-11(10)13/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyHCPXZNRXXAMFAJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.91
Rot. Bonds4

About 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone

7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone (PubChem CID 114972299) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
PubChem CID114972299
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1C2CCCCC21
InChIInChI=1S/C14H20N2O/c1-2-9-16-12(7-8-15-16)14(17)13-10-5-3-4-6-11(10)13/h7-8,10-11,13H,2-6,9H2,1H3
InChIKeyHCPXZNRXXAMFAJ-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-2-yl-(2-propylpyrazol-3-yl)methanone
CID 114972338
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 65424270
2-propylpyrazole-3-carboxylic acid
CID 7017775
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 79087928
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
(4-methylmorpholin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 79077309
morpholin-2-yl-(2-propylpyrazol-3-yl)methanone
CID 116561656
3-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)propan-1-one
CID 114972319
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone (CID 114972299) is 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone?
The InChIKey is HCPXZNRXXAMFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-9-16-12(7-8-15-16)14(17)13-10-5-3-4-6-11(10)13/h7-8,10-11,13H,2-6,9H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone?
7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).