N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide

C19H24FN3O3 — CID 126792996

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
SMILESCOc1ccc(F)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1OC
InChIInChI=1S/C19H24FN3O3/c1-25-15-9-8-14(20)17(18(15)26-2)19(24)21-16-11-13(22-23-16)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyBOTTVJULXZKWTG-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.94
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide (PubChem CID 126792996) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
PubChem CID126792996
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
SMILESCOc1ccc(F)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1OC
InChIInChI=1S/C19H24FN3O3/c1-25-15-9-8-14(20)17(18(15)26-2)19(24)21-16-11-13(22-23-16)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyBOTTVJULXZKWTG-UHFFFAOYSA-N
XLogP3.94
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 56552927
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 75477436
2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
CID 55863420
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
5-chloro-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 56553126
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
CID 56552898
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 127277358

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide (CID 126792996) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide is COc1ccc(F)c(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1OC.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide?
The InChIKey is BOTTVJULXZKWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-25-15-9-8-14(20)17(18(15)26-2)19(24)21-16-11-13(22-23-16)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide has a molecular weight of 361.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide is sourced from PubChem (CID 126792996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).