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

C17H21N3O — CID 55551440

IUPAC5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-2-5-15-11-16(20-19-15)17(21)18-14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-7,11,14H,2,5,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyZEGSJNOHJLGUCY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.65
Rot. Bonds4

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

5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 55551440) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID55551440
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2CCc3ccccc3C2)n[nH]1
InChIInChI=1S/C17H21N3O/c1-2-5-15-11-16(20-19-15)17(21)18-14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-7,11,14H,2,5,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyZEGSJNOHJLGUCY-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide (CID 55551440) is 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC2CCc3ccccc3C2)n[nH]1.
What is the InChIKey of 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZEGSJNOHJLGUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-5-15-11-16(20-19-15)17(21)18-14-9-8-12-6-3-4-7-13(12)10-14/h3-4,6-7,11,14H,2,5,8-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide?
5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55551440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).