N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide

C19H23F2N3O — CID 46105464

IUPACN-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)NCC1CCCCC1
InChIInChI=1S/C19H23F2N3O/c1-2-24-18(19(25)22-12-13-6-4-3-5-7-13)11-17(23-24)14-8-9-15(20)16(21)10-14/h8-11,13H,2-7,12H2,1H3,(H,22,25)
InChIKeyDMRXQVQBVVCHSE-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.16
Rot. Bonds5

About N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide

N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 46105464) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
PubChem CID46105464
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC NameN-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)NCC1CCCCC1
InChIInChI=1S/C19H23F2N3O/c1-2-24-18(19(25)22-12-13-6-4-3-5-7-13)11-17(23-24)14-8-9-15(20)16(21)10-14/h8-11,13H,2-7,12H2,1H3,(H,22,25)
InChIKeyDMRXQVQBVVCHSE-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 46105471
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]cyclohexanecarboxamide
CID 46959330
N-[(4-bromocyclohexyl)methyl]-1,3-diethylpyrazole-5-carboxamide
CID 106134795
3-(3,4-difluorophenyl)-1-ethyl-N-(furan-2-ylmethyl)-N-methylpyrazole-5-carboxamide
CID 46105469
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
1-ethyl-3-(4-fluorophenyl)-N-(trifluoromethyl)pyrazole-5-carboxamide
CID 174832324
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 64928116

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide (CID 46105464) is N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide is CCn1nc(-c2ccc(F)c(F)c2)cc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is DMRXQVQBVVCHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-2-24-18(19(25)22-12-13-6-4-3-5-7-13)11-17(23-24)14-8-9-15(20)16(21)10-14/h8-11,13H,2-7,12H2,1H3,(H,22,25).
What are the key properties of N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide?
N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 46105464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).