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

C15H19N5O — CID 138030092

IUPAC5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2Cc3ccccc3CN2)cc1N
InChIInChI=1S/C15H19N5O/c1-20-14(16)7-13(19-20)15(21)18-9-12-6-10-4-2-3-5-11(10)8-17-12/h2-5,7,12,17H,6,8-9,16H2,1H3,(H,18,21)
InChIKeyDQXDYRBUZCZRTA-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.45
Rot. Bonds3

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

5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 138030092) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID138030092
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2Cc3ccccc3CN2)cc1N
InChIInChI=1S/C15H19N5O/c1-20-14(16)7-13(19-20)15(21)18-9-12-6-10-4-2-3-5-11(10)8-17-12/h2-5,7,12,17H,6,8-9,16H2,1H3,(H,18,21)
InChIKeyDQXDYRBUZCZRTA-UHFFFAOYSA-N
XLogP0.45
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512992
5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 122171425
4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
CID 138030270
1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 167778484
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
2-hydroxy-N-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 158628161
1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
CID 135214209
1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213793
5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 167851739
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
1-[(2R)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512989

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide (CID 138030092) is 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCC2Cc3ccccc3CN2)cc1N.
What is the InChIKey of 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is DQXDYRBUZCZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-20-14(16)7-13(19-20)15(21)18-9-12-6-10-4-2-3-5-11(10)8-17-12/h2-5,7,12,17H,6,8-9,16H2,1H3,(H,18,21).
What are the key properties of 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide?
5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138030092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).