5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H20Cl2N4O — CID 126781100

IUPAC5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1cc(CC(C)NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n[nH]1
InChIInChI=1S/C17H20Cl2N4O/c1-10(5-14-6-11(2)21-22-14)20-17(24)23-4-3-15-12(9-23)7-13(18)8-16(15)19/h6-8,10H,3-5,9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyCUKCOXJUANFHFK-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.72
Rot. Bonds3

About 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 126781100) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID126781100
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1cc(CC(C)NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n[nH]1
InChIInChI=1S/C17H20Cl2N4O/c1-10(5-14-6-11(2)21-22-14)20-17(24)23-4-3-15-12(9-23)7-13(18)8-16(15)19/h6-8,10H,3-5,9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyCUKCOXJUANFHFK-UHFFFAOYSA-N
XLogP3.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 126781100) is 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1cc(CC(C)NC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n[nH]1.
What is the InChIKey of 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is CUKCOXJUANFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-10(5-14-6-11(2)21-22-14)20-17(24)23-4-3-15-12(9-23)7-13(18)8-16(15)19/h6-8,10H,3-5,9H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 126781100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).