(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

C18H25ClN4O — CID 154914443

IUPAC(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCCCCn1nc(C)cc1NC(=O)[C@H]1Cc2ccccc2CN1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-3-4-9-22-17(10-13(2)21-22)20-18(23)16-11-14-7-5-6-8-15(14)12-19-16;/h5-8,10,16,19H,3-4,9,11-12H2,1-2H3,(H,20,23);1H/t16-;/m1./s1
InChIKeyAZLLXNWBRZZPJR-PKLMIRHRSA-N
MW348.88 g/mol
LogP3.07
Rot. Bonds5

About (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride

(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (PubChem CID 154914443) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
PubChem CID154914443
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
SMILESCCCCn1nc(C)cc1NC(=O)[C@H]1Cc2ccccc2CN1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-3-4-9-22-17(10-13(2)21-22)20-18(23)16-11-14-7-5-6-8-15(14)12-19-16;/h5-8,10,16,19H,3-4,9,11-12H2,1-2H3,(H,20,23);1H/t16-;/m1./s1
InChIKeyAZLLXNWBRZZPJR-PKLMIRHRSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(3R)-N-(1,3-dimethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 102805612
(3S)-N-(2-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896409
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324893
N-(1-propylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119265093
(3R)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985000
(3S)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985001
(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 68845319
N-octan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43711414
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271421
N-[(1-propylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119345531

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride (CID 154914443) is (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is CCCCn1nc(C)cc1NC(=O)[C@H]1Cc2ccccc2CN1.Cl.
What is the InChIKey of (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
The InChIKey is AZLLXNWBRZZPJR-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-3-4-9-22-17(10-13(2)21-22)20-18(23)16-11-14-7-5-6-8-15(14)12-19-16;/h5-8,10,16,19H,3-4,9,11-12H2,1-2H3,(H,20,23);1H/t16-;/m1./s1.
What are the key properties of (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride?
(3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-butyl-5-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 154914443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).