(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H24N4O — CID 97324893

IUPAC(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1C
InChIInChI=1S/C18H24N4O/c1-4-22-13(3)16(12(2)21-22)11-20-18(23)17-9-14-7-5-6-8-15(14)10-19-17/h5-8,17,19H,4,9-11H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyNOIZNIGJGVOBHK-KRWDZBQOSA-N
MW312.42 g/mol
LogP1.85
Rot. Bonds4

About (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 97324893) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID97324893
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1C
InChIInChI=1S/C18H24N4O/c1-4-22-13(3)16(12(2)21-22)11-20-18(23)17-9-14-7-5-6-8-15(14)10-19-17/h5-8,17,19H,4,9-11H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyNOIZNIGJGVOBHK-KRWDZBQOSA-N
XLogP1.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95172963
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119891860
(3S)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44663666
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154914443
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
CID 138010022
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61165563
(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163280
(3R)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390750
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 97324893) is (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCn1nc(C)c(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1C.
What is the InChIKey of (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is NOIZNIGJGVOBHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22-13(3)16(12(2)21-22)11-20-18(23)17-9-14-7-5-6-8-15(14)10-19-17/h5-8,17,19H,4,9-11H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 97324893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).