2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide

C18H22F2N4O2 — CID 175640635

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
SMILESCc1cc(N)n(CC(=O)NC2CCC(Oc3cc(F)cc(F)c3)CC2)n1
InChIInChI=1S/C18H22F2N4O2/c1-11-6-17(21)24(23-11)10-18(25)22-14-2-4-15(5-3-14)26-16-8-12(19)7-13(20)9-16/h6-9,14-15H,2-5,10,21H2,1H3,(H,22,25)
InChIKeyGCDLGLYFFDREQW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.56
Rot. Bonds5

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide (PubChem CID 175640635) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
PubChem CID175640635
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide
SMILESCc1cc(N)n(CC(=O)NC2CCC(Oc3cc(F)cc(F)c3)CC2)n1
InChIInChI=1S/C18H22F2N4O2/c1-11-6-17(21)24(23-11)10-18(25)22-14-2-4-15(5-3-14)26-16-8-12(19)7-13(20)9-16/h6-9,14-15H,2-5,10,21H2,1H3,(H,22,25)
InChIKeyGCDLGLYFFDREQW-UHFFFAOYSA-N
XLogP2.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]acetamide
CID 91793204
N-cyclopropyl-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495505
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91794568
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 45246796
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634935
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
4-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-methyl-N-(1-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 169419451
ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 91780001
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide (CID 175640635) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide is Cc1cc(N)n(CC(=O)NC2CCC(Oc3cc(F)cc(F)c3)CC2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide?
The InChIKey is GCDLGLYFFDREQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-11-6-17(21)24(23-11)10-18(25)22-14-2-4-15(5-3-14)26-16-8-12(19)7-13(20)9-16/h6-9,14-15H,2-5,10,21H2,1H3,(H,22,25).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[4-(3,5-difluorophenoxy)cyclohexyl]acetamide is sourced from PubChem (CID 175640635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).