4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide

C15H14N4O — CID 107345141

IUPAC4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2cccc3ccccc23)cc1N
InChIInChI=1S/C15H14N4O/c16-13-9-19(18-14(13)15(17)20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8,16H2,(H2,17,20)
InChIKeyVRWATSHGQKQTDK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds3

About 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide

4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 107345141) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID107345141
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2cccc3ccccc23)cc1N
InChIInChI=1S/C15H14N4O/c16-13-9-19(18-14(13)15(17)20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8,16H2,(H2,17,20)
InChIKeyVRWATSHGQKQTDK-UHFFFAOYSA-N
XLogP1.77
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide (CID 107345141) is 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1nn(Cc2cccc3ccccc23)cc1N.
What is the InChIKey of 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is VRWATSHGQKQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-13-9-19(18-14(13)15(17)20)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8,16H2,(H2,17,20).
What are the key properties of 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide?
4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(naphthalen-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 107345141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).