3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide

C23H25N3O3 — CID 93014158

IUPAC3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)n(C)n2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-26-21(14-20(25-26)18-12-11-16(28-2)13-22(18)29-3)23(27)24-19-10-6-8-15-7-4-5-9-17(15)19/h4-5,7,9,11-14,19H,6,8,10H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyDSMFGIHLORSMKH-IBGZPJMESA-N
MW391.47 g/mol
LogP3.91
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide (PubChem CID 93014158) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide
PubChem CID93014158
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)n(C)n2)c(OC)c1
InChIInChI=1S/C23H25N3O3/c1-26-21(14-20(25-26)18-12-11-16(28-2)13-22(18)29-3)23(27)24-19-10-6-8-15-7-4-5-9-17(15)19/h4-5,7,9,11-14,19H,6,8,10H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyDSMFGIHLORSMKH-IBGZPJMESA-N
XLogP3.91
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide (CID 93014158) is 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)n(C)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide?
The InChIKey is DSMFGIHLORSMKH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26-21(14-20(25-26)18-12-11-16(28-2)13-22(18)29-3)23(27)24-19-10-6-8-15-7-4-5-9-17(15)19/h4-5,7,9,11-14,19H,6,8,10H2,1-3H3,(H,24,27)/t19-/m0/s1.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 93014158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).