(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H16N4O — CID 104896409

IUPAC(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCn1nccc1NC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H16N4O/c1-18-13(6-7-16-18)17-14(19)12-8-10-4-2-3-5-11(10)9-15-12/h2-7,12,15H,8-9H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyFCROMGNMXONWHC-LBPRGKRZSA-N
MW256.31 g/mol
LogP1.07
Rot. Bonds2

About (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896409) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896409
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCn1nccc1NC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C14H16N4O/c1-18-13(6-7-16-18)17-14(19)12-8-10-4-2-3-5-11(10)9-15-12/h2-7,12,15H,8-9H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyFCROMGNMXONWHC-LBPRGKRZSA-N
XLogP1.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-pyrazin-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43616172
(3R)-N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 102805612
(2S)-N-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 94001045
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 154914443
(3R)-N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55130680
N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62902385
(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 131935601
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281
N-(3-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103094263

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896409) is (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cn1nccc1NC(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is FCROMGNMXONWHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-13(6-7-16-18)17-14(19)12-8-10-4-2-3-5-11(10)9-15-12/h2-7,12,15H,8-9H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).