N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H26N4O — CID 99833597

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)c1cccc2c1CCN(C(=O)NCCc1ccnn1C)C2
InChIInChI=1S/C19H26N4O/c1-14(2)17-6-4-5-15-13-23(12-9-18(15)17)19(24)20-10-7-16-8-11-21-22(16)3/h4-6,8,11,14H,7,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyGYMCNPYLDNYTPV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.85
Rot. Bonds4

About N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 99833597) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID99833597
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)c1cccc2c1CCN(C(=O)NCCc1ccnn1C)C2
InChIInChI=1S/C19H26N4O/c1-14(2)17-6-4-5-15-13-23(12-9-18(15)17)19(24)20-10-7-16-8-11-21-22(16)3/h4-6,8,11,14H,7,9-10,12-13H2,1-3H3,(H,20,24)
InChIKeyGYMCNPYLDNYTPV-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99830277
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 100686925
4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-amine
CID 103001943
1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
CID 103006184
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 99833597) is N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(C)c1cccc2c1CCN(C(=O)NCCc1ccnn1C)C2.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GYMCNPYLDNYTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)17-6-4-5-15-13-23(12-9-18(15)17)19(24)20-10-7-16-8-11-21-22(16)3/h4-6,8,11,14H,7,9-10,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 99833597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).