N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide

C19H22N4O — CID 70735280

IUPACN-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)Cc2cccc3cnccc23)n(C)n1
InChIInChI=1S/C19H22N4O/c1-4-6-16-11-18(23(3)21-16)19(24)22(2)13-15-8-5-7-14-12-20-10-9-17(14)15/h5,7-12H,4,6,13H2,1-3H3
InChIKeyFNHHIECETKUCCM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.19
Rot. Bonds5

About N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide

N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide (PubChem CID 70735280) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide
PubChem CID70735280
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)Cc2cccc3cnccc23)n(C)n1
InChIInChI=1S/C19H22N4O/c1-4-6-16-11-18(23(3)21-16)19(24)22(2)13-15-8-5-7-14-12-20-10-9-17(14)15/h5,7-12H,4,6,13H2,1-3H3
InChIKeyFNHHIECETKUCCM-UHFFFAOYSA-N
XLogP3.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide (CID 70735280) is N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N(C)Cc2cccc3cnccc23)n(C)n1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The InChIKey is FNHHIECETKUCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-6-16-11-18(23(3)21-16)19(24)22(2)13-15-8-5-7-14-12-20-10-9-17(14)15/h5,7-12H,4,6,13H2,1-3H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N,1-dimethyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70735280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).