(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C19H18N4O — CID 131935601

IUPAC(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C19H18N4O/c24-19(18-11-14-5-1-2-6-15(14)13-20-18)22-16-7-3-8-17(12-16)23-10-4-9-21-23/h1-10,12,18,20H,11,13H2,(H,22,24)/t18-/m1/s1
InChIKeyXORFWCISDXZQKR-GOSISDBHSA-N
MW318.38 g/mol
LogP2.53
Rot. Bonds3

About (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 131935601) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID131935601
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C19H18N4O/c24-19(18-11-14-5-1-2-6-15(14)13-20-18)22-16-7-3-8-17(12-16)23-10-4-9-21-23/h1-10,12,18,20H,11,13H2,(H,22,24)/t18-/m1/s1
InChIKeyXORFWCISDXZQKR-GOSISDBHSA-N
XLogP2.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 131935601) is (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1cccc(-n2cccn2)c1)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is XORFWCISDXZQKR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(18-11-14-5-1-2-6-15(14)13-20-18)22-16-7-3-8-17(12-16)23-10-4-9-21-23/h1-10,12,18,20H,11,13H2,(H,22,24)/t18-/m1/s1.
What are the key properties of (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-pyrazol-1-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 131935601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).