N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide

C17H15N3O — CID 91287100

IUPACN-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1nnc2cccccc1-2)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12(13-8-4-2-5-9-13)18-17(21)16-14-10-6-3-7-11-15(14)19-20-16/h2-12H,1H3,(H,18,21)/t12-/m1/s1
InChIKeyJQXGUPQIUFWWAF-GFCCVEGCSA-N
MW277.33 g/mol
LogP3.07
Rot. Bonds3

About N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide

N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide (PubChem CID 91287100) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
PubChem CID91287100
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1nnc2cccccc1-2)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12(13-8-4-2-5-9-13)18-17(21)16-14-10-6-3-7-11-15(14)19-20-16/h2-12H,1H3,(H,18,21)/t12-/m1/s1
InChIKeyJQXGUPQIUFWWAF-GFCCVEGCSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]cyclohepta[c]pyrazole-3-carboxamide
CID 91541109
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 110484935
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
1-methyl-3-N,4-N-bis[(1R)-1-phenylethyl]pyrazole-3,4-dicarboxamide
CID 29097432
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide (CID 91287100) is N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide is C[C@@H](NC(=O)c1nnc2cccccc1-2)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide?
The InChIKey is JQXGUPQIUFWWAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12(13-8-4-2-5-9-13)18-17(21)16-14-10-6-3-7-11-15(14)19-20-16/h2-12H,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide?
N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 91287100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).