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

C19H20N4O2 — CID 166286123

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1nccc2ccccc12
InChIInChI=1S/C19H20N4O2/c24-17-11-13(12-23-9-3-7-21-23)10-16(17)22-19(25)18-15-5-2-1-4-14(15)6-8-20-18/h1-9,13,16-17,24H,10-12H2,(H,22,25)/t13?,16-,17-/m1/s1
InChIKeyRBNHWQXHPIGQIE-SYFTWWQRSA-N
MW336.39 g/mol
LogP2.00
Rot. Bonds4

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

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide (PubChem CID 166286123) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
PubChem CID166286123
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1nccc2ccccc12
InChIInChI=1S/C19H20N4O2/c24-17-11-13(12-23-9-3-7-21-23)10-16(17)22-19(25)18-15-5-2-1-4-14(15)6-8-20-18/h1-9,13,16-17,24H,10-12H2,(H,22,25)/t13?,16-,17-/m1/s1
InChIKeyRBNHWQXHPIGQIE-SYFTWWQRSA-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 ≤ 500336.39
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-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide (CID 166286123) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1nccc2ccccc12.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide?
The InChIKey is RBNHWQXHPIGQIE-SYFTWWQRSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17-11-13(12-23-9-3-7-21-23)10-16(17)22-19(25)18-15-5-2-1-4-14(15)6-8-20-18/h1-9,13,16-17,24H,10-12H2,(H,22,25)/t13?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide has a molecular weight of 336.39 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-1-carboxamide is sourced from PubChem (CID 166286123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).