3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide

C16H19N3O — CID 62316922

IUPAC3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C16H19N3O/c1-10-15(11(2)19-18-10)16(20)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXVDPVQAPQFEPTG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.31
Rot. Bonds2

About 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 62316922) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID62316922
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C16H19N3O/c1-10-15(11(2)19-18-10)16(20)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyXVDPVQAPQFEPTG-UHFFFAOYSA-N
XLogP2.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide (CID 62316922) is 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NC1CCc2ccccc2C1.
What is the InChIKey of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is XVDPVQAPQFEPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-15(11(2)19-18-10)16(20)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-6,14H,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62316922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).