5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide

C16H17FN4O — CID 120881700

IUPAC5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17FN4O/c17-15-11-5-6-18-8-10(11)3-4-12(15)19-16(22)14-7-13(20-21-14)9-1-2-9/h3-4,7,9,18H,1-2,5-6,8H2,(H,19,22)(H,20,21)
InChIKeyMFHZSISXMHKPJU-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.32
Rot. Bonds3

About 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide (PubChem CID 120881700) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide
PubChem CID120881700
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17FN4O/c17-15-11-5-6-18-8-10(11)3-4-12(15)19-16(22)14-7-13(20-21-14)9-1-2-9/h3-4,7,9,18H,1-2,5-6,8H2,(H,19,22)(H,20,21)
InChIKeyMFHZSISXMHKPJU-UHFFFAOYSA-N
XLogP2.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120884051
1-tert-butyl-5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-3-carboxamide
CID 120882272
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881608
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 120883747
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
CID 120883246
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120883212
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042
4-cyclobutyloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882637

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide (CID 120881700) is 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is MFHZSISXMHKPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-15-11-5-6-18-8-10(11)3-4-12(15)19-16(22)14-7-13(20-21-14)9-1-2-9/h3-4,7,9,18H,1-2,5-6,8H2,(H,19,22)(H,20,21).
What are the key properties of 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 120881700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).