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

C22H23N3O2 — CID 97125613

IUPAC5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N(C)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C22H23N3O2/c1-25(20-12-6-8-15-7-3-4-11-18(15)20)22(26)19-14-23-24-21(19)16-9-5-10-17(13-16)27-2/h3-5,7,9-11,13-14,20H,6,8,12H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyQSNBVJJEFIEARO-FQEVSTJZSA-N
MW361.45 g/mol
LogP4.23
Rot. Bonds4

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

5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide (PubChem CID 97125613) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide
PubChem CID97125613
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N(C)[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C22H23N3O2/c1-25(20-12-6-8-15-7-3-4-11-18(15)20)22(26)19-14-23-24-21(19)16-9-5-10-17(13-16)27-2/h3-5,7,9-11,13-14,20H,6,8,12H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyQSNBVJJEFIEARO-FQEVSTJZSA-N
XLogP4.23
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-carboxamide
CID 70734926
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 97131739
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
N,6-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
CID 86768777
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8556099
4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 61107600
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide (CID 97125613) is 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide is COc1cccc(-c2[nH]ncc2C(=O)N(C)[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is QSNBVJJEFIEARO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(20-12-6-8-15-7-3-4-11-18(15)20)22(26)19-14-23-24-21(19)16-9-5-10-17(13-16)27-2/h3-5,7,9-11,13-14,20H,6,8,12H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide?
5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97125613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).