1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide

C14H16N4O — CID 103117436

IUPAC1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc3c2CCNC3)n1
InChIInChI=1S/C14H16N4O/c1-18-8-6-13(17-18)14(19)16-12-4-2-3-10-9-15-7-5-11(10)12/h2-4,6,8,15H,5,7,9H2,1H3,(H,16,19)
InChIKeyXJCBARKBIIBCOU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide

1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide (PubChem CID 103117436) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
PubChem CID103117436
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc3c2CCNC3)n1
InChIInChI=1S/C14H16N4O/c1-18-8-6-13(17-18)14(19)16-12-4-2-3-10-9-15-7-5-11(10)12/h2-4,6,8,15H,5,7,9H2,1H3,(H,16,19)
InChIKeyXJCBARKBIIBCOU-UHFFFAOYSA-N
XLogP1.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
1-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrole-2-carboxamide
CID 80554412
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide (CID 103117436) is 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccc3c2CCNC3)n1.
What is the InChIKey of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide?
The InChIKey is XJCBARKBIIBCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-8-6-13(17-18)14(19)16-12-4-2-3-10-9-15-7-5-11(10)12/h2-4,6,8,15H,5,7,9H2,1H3,(H,16,19).
What are the key properties of 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide?
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 103117436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).