N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide

C19H20N4O2 — CID 166286067

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc2ccccc2cn1
InChIInChI=1S/C19H20N4O2/c24-18-9-13(12-23-7-3-6-21-23)8-16(18)22-19(25)17-10-14-4-1-2-5-15(14)11-20-17/h1-7,10-11,13,16,18,24H,8-9,12H2,(H,22,25)/t13?,16-,18-/m1/s1
InChIKeyUNWICAZVVJGKHI-FMRBYIFOSA-N
MW336.40 g/mol
LogP2.00
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide (PubChem CID 166286067) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
PubChem CID166286067
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc2ccccc2cn1
InChIInChI=1S/C19H20N4O2/c24-18-9-13(12-23-7-3-6-21-23)8-16(18)22-19(25)17-10-14-4-1-2-5-15(14)11-20-17/h1-7,10-11,13,16,18,24H,8-9,12H2,(H,22,25)/t13?,16-,18-/m1/s1
InChIKeyUNWICAZVVJGKHI-FMRBYIFOSA-N
XLogP2.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide (CID 166286067) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc2ccccc2cn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide?
The InChIKey is UNWICAZVVJGKHI-FMRBYIFOSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18-9-13(12-23-7-3-6-21-23)8-16(18)22-19(25)17-10-14-4-1-2-5-15(14)11-20-17/h1-7,10-11,13,16,18,24H,8-9,12H2,(H,22,25)/t13?,16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 166286067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).