N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide

C16H15N3O2 — CID 97227601

IUPACN-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccn[nH]1
InChIInChI=1S/C16H15N3O2/c20-15(10-17-16(21)14-7-8-18-19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,15,20H,10H2,(H,17,21)(H,18,19)/t15-/m0/s1
InChIKeyYDKFJTPSVUWCKZ-HNNXBMFYSA-N
MW281.31 g/mol
LogP2.03
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide

N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide (PubChem CID 97227601) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
PubChem CID97227601
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccn[nH]1
InChIInChI=1S/C16H15N3O2/c20-15(10-17-16(21)14-7-8-18-19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,15,20H,10H2,(H,17,21)(H,18,19)/t15-/m0/s1
InChIKeyYDKFJTPSVUWCKZ-HNNXBMFYSA-N
XLogP2.03
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[hydroxy(naphthalen-2-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 172723177
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
5-(4-fluorophenyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 166201296
5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 95618402
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
N-(2-hydroxy-2-naphthalen-2-ylethyl)quinoline-5-carboxamide
CID 111112184
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
CID 111112175
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
CID 111112103

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide (CID 97227601) is N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide is O=C(NC[C@H](O)c1ccc2ccccc2c1)c1ccn[nH]1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YDKFJTPSVUWCKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15(10-17-16(21)14-7-8-18-19-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,15,20H,10H2,(H,17,21)(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide?
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97227601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).