N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide

C12H17N3O — CID 79776778

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1C2CCCC21
InChIInChI=1S/C12H17N3O/c1-6-11(7(2)15-14-6)13-12(16)10-8-4-3-5-9(8)10/h8-10H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOPAWKXCGERTCEK-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.01
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79776778) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79776778
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1C2CCCC21
InChIInChI=1S/C12H17N3O/c1-6-11(7(2)15-14-6)13-12(16)10-8-4-3-5-9(8)10/h8-10H,3-5H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOPAWKXCGERTCEK-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79776778) is N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide is Cc1n[nH]c(C)c1NC(=O)C1C2CCCC21.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is OPAWKXCGERTCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-6-11(7(2)15-14-6)13-12(16)10-8-4-3-5-9(8)10/h8-10H,3-5H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79776778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).