methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate

C19H24N4O3 — CID 144556423

IUPACmethyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2nn(C3CCCCC3)cc2C(N)=O)cc1
InChIInChI=1S/C19H24N4O3/c1-26-17(24)11-13-7-9-14(10-8-13)21-19-16(18(20)25)12-23(22-19)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,20,25)(H,21,22)
InChIKeyYYRRHSYAZDIANK-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.95
Rot. Bonds6

About methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate

methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate (PubChem CID 144556423) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate
PubChem CID144556423
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2nn(C3CCCCC3)cc2C(N)=O)cc1
InChIInChI=1S/C19H24N4O3/c1-26-17(24)11-13-7-9-14(10-8-13)21-19-16(18(20)25)12-23(22-19)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,20,25)(H,21,22)
InChIKeyYYRRHSYAZDIANK-UHFFFAOYSA-N
XLogP2.95
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)anilino]pyrazole-4-carboxamide
CID 130284308
2-[4-[[4-carbamoyl-1-[(1S,2S)-2-isocyanocyclohexyl]pyrazol-3-yl]amino]phenyl]acetic acid
CID 91819703
1-cyclohexyl-3-[4-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)anilino]pyrazole-4-carboxamide
CID 130284606
ethane;formonitrile;methyl 2-bromo-4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]benzoate
CID 164542878
CID 164542967
CID 164542967
2-[4-[[1-[4-(azetidin-1-yl)cyclohexyl]-4-carbamoylpyrazol-3-yl]amino]phenyl]-2-methylpropanoic acid
CID 130285942
3-(4-chloroanilino)-1-[4-(methanesulfinamido)cyclohexyl]pyrazole-4-carboxamide
CID 130284890
3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
CID 130284430
methyl 2-[2-bromo-4-[[4-carbamoyl-1-[(4S)-4-methyloxan-3-yl]pyrazol-3-yl]amino]phenyl]acetate
CID 167120892
3-(4-acetylanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471116
3-anilino-1-[(1S,2R,3S)-3-hydroxy-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 152964021
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(2-methylpropylsulfonyl)anilino]pyrazole-4-carboxamide
CID 152989344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate (CID 144556423) is methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate is COC(=O)Cc1ccc(Nc2nn(C3CCCCC3)cc2C(N)=O)cc1.
What is the InChIKey of methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate?
The InChIKey is YYRRHSYAZDIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-17(24)11-13-7-9-14(10-8-13)21-19-16(18(20)25)12-23(22-19)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H2,20,25)(H,21,22).
What are the key properties of methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate?
methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate has a molecular weight of 356.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate is sourced from PubChem (CID 144556423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).