3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide

C16H16N4O — CID 64523494

IUPAC3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C16H16N4O/c1-20(16(21)14-9-15(17)19-18-14)10-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,10H2,1H3,(H3,17,18,19)
InChIKeyZLEGTKOWTDZFGK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds3

About 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523494) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID64523494
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C16H16N4O/c1-20(16(21)14-9-15(17)19-18-14)10-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,10H2,1H3,(H3,17,18,19)
InChIKeyZLEGTKOWTDZFGK-UHFFFAOYSA-N
XLogP2.42
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 39967874
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046469
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 61264255

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 64523494) is 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZLEGTKOWTDZFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(16(21)14-9-15(17)19-18-14)10-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,10H2,1H3,(H3,17,18,19).
What are the key properties of 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).