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

C18H23N3O — CID 131908727

IUPAC3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCc3ccccc3C2)c(C)n1
InChIInChI=1S/C18H23N3O/c1-3-10-21-12-17(13(2)20-21)18(22)19-16-9-8-14-6-4-5-7-15(14)11-16/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeySPYMSOYIJBSRNJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.89
Rot. Bonds4

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

3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide (PubChem CID 131908727) 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-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
PubChem CID131908727
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC2CCc3ccccc3C2)c(C)n1
InChIInChI=1S/C18H23N3O/c1-3-10-21-12-17(13(2)20-21)18(22)19-16-9-8-14-6-4-5-7-15(14)11-16/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22)
InChIKeySPYMSOYIJBSRNJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
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CID 131898012
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
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CID 56710020
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 25446356
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 91761197
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
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CID 20872301
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
3-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-1-propylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide (CID 131908727) is 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide is CCCn1cc(C(=O)NC2CCc3ccccc3C2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
The InChIKey is SPYMSOYIJBSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-10-21-12-17(13(2)20-21)18(22)19-16-9-8-14-6-4-5-7-15(14)11-16/h4-7,12,16H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of 3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide?
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.89, 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-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 131908727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).