N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

C15H23N3O — CID 25161455

IUPACN-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C15H23N3O/c19-15(16-11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)17-18-14/h11H,1-10H2,(H,16,19)(H,17,18)
InChIKeyIOBGHWZIFFRNNV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds2

About N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 25161455) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID25161455
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C15H23N3O/c19-15(16-11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)17-18-14/h11H,1-10H2,(H,16,19)(H,17,18)
InChIKeyIOBGHWZIFFRNNV-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 25161455) is N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is O=C(NC1CCCCC1)c1n[nH]c2c1CCCCC2.
What is the InChIKey of N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is IOBGHWZIFFRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15(16-11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)17-18-14/h11H,1-10H2,(H,16,19)(H,17,18).
What are the key properties of N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 25161455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).