N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C21H22N4O — CID 24898379

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCNC4)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-2-4-16(5-3-15)13-25-14-20(12-23-25)24-21(26)18-6-7-19-11-22-9-8-17(19)10-18/h2-7,10,12,14,22H,8-9,11,13H2,1H3,(H,24,26)
InChIKeyHWPXBXQEISYQPK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.14
Rot. Bonds4

About N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 24898379) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID24898379
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCNC4)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-2-4-16(5-3-15)13-25-14-20(12-23-25)24-21(26)18-6-7-19-11-22-9-8-17(19)10-18/h2-7,10,12,14,22H,8-9,11,13H2,1H3,(H,24,26)
InChIKeyHWPXBXQEISYQPK-UHFFFAOYSA-N
XLogP3.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 59192332
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
tert-butyl 6-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 68709812
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide
CID 25255840
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113224363
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
5-methyl-1-[(4-methylphenyl)methyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)triazole-4-carboxamide
CID 25177005
1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
CID 24898600
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
CID 100646183

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 24898379) is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCNC4)cn2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is HWPXBXQEISYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-2-4-16(5-3-15)13-25-14-20(12-23-25)24-21(26)18-6-7-19-11-22-9-8-17(19)10-18/h2-7,10,12,14,22H,8-9,11,13H2,1H3,(H,24,26).
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 24898379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).