3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide

C18H23N3O — CID 131898012

IUPAC3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCCc3ccccc32)c(C)n1
InChIInChI=1S/C18H23N3O/c1-3-11-21-12-16(13(2)20-21)18(22)19-17-10-6-8-14-7-4-5-9-15(14)17/h4-5,7,9,12,17H,3,6,8,10-11H2,1-2H3,(H,19,22)
InChIKeyPUWOCFPDJHIBNA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.41
Rot. Bonds4

About 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide

3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide (PubChem CID 131898012) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
PubChem CID131898012
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCCc3ccccc32)c(C)n1
InChIInChI=1S/C18H23N3O/c1-3-11-21-12-16(13(2)20-21)18(22)19-17-10-6-8-14-7-4-5-9-15(14)17/h4-5,7,9,12,17H,3,6,8,10-11H2,1-2H3,(H,19,22)
InChIKeyPUWOCFPDJHIBNA-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
1-methyl-3-[(3R)-oxolan-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 129472548
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
6-cyclopropyl-1,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 45148429
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
1,3-dimethyl-N-(6-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 141279903
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866
1-ethyl-7-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,8-naphthyridine-3-carboxamide
CID 1174766

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide (CID 131898012) is 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide is CCCn1cc(C(=O)NC2CCCc3ccccc32)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide?
The InChIKey is PUWOCFPDJHIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-11-21-12-16(13(2)20-21)18(22)19-17-10-6-8-14-7-4-5-9-15(14)17/h4-5,7,9,12,17H,3,6,8,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide?
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 131898012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).