1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide

C23H24N4O3 — CID 56507403

IUPAC1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-30-19-9-10-20-15(13-19)3-2-4-16(20)14-22(28)25-17-5-7-18(8-6-17)27-12-11-21(26-27)23(24)29/h5-13,16H,2-4,14H2,1H3,(H2,24,29)(H,25,28)
InChIKeyPNTVBJNMRSHVQR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.43
Rot. Bonds6

About 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide

1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 56507403) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID56507403
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-30-19-9-10-20-15(13-19)3-2-4-16(20)14-22(28)25-17-5-7-18(8-6-17)27-12-11-21(26-27)23(24)29/h5-13,16H,2-4,14H2,1H3,(H2,24,29)(H,25,28)
InChIKeyPNTVBJNMRSHVQR-UHFFFAOYSA-N
XLogP3.43
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 97063872
5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
CID 167828045
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 86839663
1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56585894
1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
CID 56506902
1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
CID 56506640
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978
4-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]benzene-1,4-dicarboxamide
CID 91648652
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide (CID 56507403) is 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide is COc1ccc2c(c1)CCCC2CC(=O)Nc1ccc(-n2ccc(C(N)=O)n2)cc1.
What is the InChIKey of 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is PNTVBJNMRSHVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-19-9-10-20-15(13-19)3-2-4-16(20)14-22(28)25-17-5-7-18(8-6-17)27-12-11-21(26-27)23(24)29/h5-13,16H,2-4,14H2,1H3,(H2,24,29)(H,25,28).
What are the key properties of 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide?
1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56507403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).