N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide

C19H24FN3O3 — CID 56750390

IUPACN-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COc2cccc(F)c2)[nH]n1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H24FN3O3/c1-2-23(17-8-3-4-9-18(17)24)19(25)16-11-14(21-22-16)12-26-15-7-5-6-13(20)10-15/h5-7,10-11,17-18,24H,2-4,8-9,12H2,1H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyDEYDEUZHOBNFEY-QZTJIDSGSA-N
MW361.42 g/mol
LogP2.89
Rot. Bonds6

About N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide

N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide (PubChem CID 56750390) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
PubChem CID56750390
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COc2cccc(F)c2)[nH]n1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C19H24FN3O3/c1-2-23(17-8-3-4-9-18(17)24)19(25)16-11-14(21-22-16)12-26-15-7-5-6-13(20)10-15/h5-7,10-11,17-18,24H,2-4,8-9,12H2,1H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyDEYDEUZHOBNFEY-QZTJIDSGSA-N
XLogP2.89
TPSA78.45 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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42595611
N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56757672
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 56748579
3-(3-fluorophenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634743
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone
CID 56742746
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide (CID 56750390) is N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide is CCN(C(=O)c1cc(COc2cccc(F)c2)[nH]n1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DEYDEUZHOBNFEY-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-2-23(17-8-3-4-9-18(17)24)19(25)16-11-14(21-22-16)12-26-15-7-5-6-13(20)10-15/h5-7,10-11,17-18,24H,2-4,8-9,12H2,1H3,(H,21,22)/t17-,18-/m1/s1.
What are the key properties of N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide?
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56750390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).