N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide

C15H19F2N5O2 — CID 146103774

IUPACN-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(C2CCC(F)(F)CC2)[nH]n1)c1cnn(CCO)c1
InChIInChI=1S/C15H19F2N5O2/c16-15(17)3-1-10(2-4-15)12-7-13(21-20-12)19-14(24)11-8-18-22(9-11)5-6-23/h7-10,23H,1-6H2,(H2,19,20,21,24)
InChIKeyAIYAPJARBYLDGI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.14
Rot. Bonds5

About N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide

N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide (PubChem CID 146103774) has the molecular formula C15H19F2N5O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide
PubChem CID146103774
Molecular FormulaC15H19F2N5O2
Molecular Weight339.35 g/mol
Exact Mass339.15
IUPAC NameN-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(C2CCC(F)(F)CC2)[nH]n1)c1cnn(CCO)c1
InChIInChI=1S/C15H19F2N5O2/c16-15(17)3-1-10(2-4-15)12-7-13(21-20-12)19-14(24)11-8-18-22(9-11)5-6-23/h7-10,23H,1-6H2,(H2,19,20,21,24)
InChIKeyAIYAPJARBYLDGI-UHFFFAOYSA-N
XLogP2.14
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R)-oxan-3-yl]-1H-pyrazol-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164641417
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 173875850
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53574447
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 56826862
1-propan-2-yl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 60240501
N-(5-cycloheptyl-1H-pyrazol-3-yl)-5-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 72009056
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide
CID 138043823
N-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(2-fluoroethyl)pyrazole-4-carboxamide
CID 139003944
3-cyclopropyl-N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 154762491
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155961977
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
CID 166311340
1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide (CID 146103774) is N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide is O=C(Nc1cc(C2CCC(F)(F)CC2)[nH]n1)c1cnn(CCO)c1.
What is the InChIKey of N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide?
The InChIKey is AIYAPJARBYLDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5O2/c16-15(17)3-1-10(2-4-15)12-7-13(21-20-12)19-14(24)11-8-18-22(9-11)5-6-23/h7-10,23H,1-6H2,(H2,19,20,21,24).
What are the key properties of N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide?
N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,4-difluorocyclohexyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).