1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C16H19F2N5O — CID 118030321

IUPAC1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1C1CCC(F)(F)CC1
InChIInChI=1S/C16H19F2N5O/c1-11-14(15(24)22(2)13-5-8-19-20-9-13)10-21-23(11)12-3-6-16(17,18)7-4-12/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyGXVOAHIRFOAGLK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.01
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 118030321) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID118030321
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccnnc2)cnn1C1CCC(F)(F)CC1
InChIInChI=1S/C16H19F2N5O/c1-11-14(15(24)22(2)13-5-8-19-20-9-13)10-21-23(11)12-3-6-16(17,18)7-4-12/h5,8-10,12H,3-4,6-7H2,1-2H3
InChIKeyGXVOAHIRFOAGLK-UHFFFAOYSA-N
XLogP3.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 118030321) is 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccnnc2)cnn1C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is GXVOAHIRFOAGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-11-14(15(24)22(2)13-5-8-19-20-9-13)10-21-23(11)12-3-6-16(17,18)7-4-12/h5,8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N,5-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 118030321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).