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

C23H26N4O — CID 59192332

IUPACN-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCC(C)c1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCNC4)cn2)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)18-5-3-17(4-6-18)14-27-15-22(13-25-27)26-23(28)20-7-8-21-12-24-10-9-19(21)11-20/h3-8,11,13,15-16,24H,9-10,12,14H2,1-2H3,(H,26,28)
InChIKeyDHFVRAVLMQJOAU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.95
Rot. Bonds5

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

N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 59192332) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID59192332
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESCC(C)c1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCNC4)cn2)cc1
InChIInChI=1S/C23H26N4O/c1-16(2)18-5-3-17(4-6-18)14-27-15-22(13-25-27)26-23(28)20-7-8-21-12-24-10-9-19(21)11-20/h3-8,11,13,15-16,24H,9-10,12,14H2,1-2H3,(H,26,28)
InChIKeyDHFVRAVLMQJOAU-UHFFFAOYSA-N
XLogP3.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 24898379
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide
CID 25255840
N-(1-benzylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113224363
tert-butyl 6-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 68709812
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
CID 100646183
1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide
CID 42597438
1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
CID 24898600
(E)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19338188
1-(1-benzylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 17298835
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 59192332) is N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is CC(C)c1ccc(Cn2cc(NC(=O)c3ccc4c(c3)CCNC4)cn2)cc1.
What is the InChIKey of N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is DHFVRAVLMQJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)18-5-3-17(4-6-18)14-27-15-22(13-25-27)26-23(28)20-7-8-21-12-24-10-9-19(21)11-20/h3-8,11,13,15-16,24H,9-10,12,14H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 59192332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).