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

C17H17N3O — CID 60520737

IUPAC5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C17H17N3O/c1-11-9-16(20-19-11)17(21)18-12(2)14-8-7-13-5-3-4-6-15(13)10-14/h3-10,12H,1-2H3,(H,18,21)(H,19,20)
InChIKeyMPKKFVRWQTYQBM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.36
Rot. Bonds3

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

5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 60520737) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID60520737
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc3ccccc3c2)n[nH]1
InChIInChI=1S/C17H17N3O/c1-11-9-16(20-19-11)17(21)18-12(2)14-8-7-13-5-3-4-6-15(13)10-14/h3-10,12H,1-2H3,(H,18,21)(H,19,20)
InChIKeyMPKKFVRWQTYQBM-UHFFFAOYSA-N
XLogP3.36
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
N-[(1S)-1-naphthalen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38619235
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120567632
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
4-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-1,3-oxazole-5-carboxamide
CID 95786807
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
N-but-3-en-2-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 126992210

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide (CID 60520737) is 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccc3ccccc3c2)n[nH]1.
What is the InChIKey of 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MPKKFVRWQTYQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-9-16(20-19-11)17(21)18-12(2)14-8-7-13-5-3-4-6-15(13)10-14/h3-10,12H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-naphthalen-2-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60520737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).