2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide

C15H17N3O2 — CID 119069614

IUPAC2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccnn1CCO
InChIInChI=1S/C15H17N3O2/c19-9-8-18-14(6-7-16-18)15(20)17-13-10-12(13)11-4-2-1-3-5-11/h1-7,12-13,19H,8-10H2,(H,17,20)/t12-,13+/m0/s1
InChIKeyZAPYHHBDMOBIRF-QWHCGFSZSA-N
MW271.32 g/mol
LogP1.16
Rot. Bonds5

About 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide

2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide (PubChem CID 119069614) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
PubChem CID119069614
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccnn1CCO
InChIInChI=1S/C15H17N3O2/c19-9-8-18-14(6-7-16-18)15(20)17-13-10-12(13)11-4-2-1-3-5-11/h1-7,12-13,19H,8-10H2,(H,17,20)/t12-,13+/m0/s1
InChIKeyZAPYHHBDMOBIRF-QWHCGFSZSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
CID 86768199
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-[(3S,4R)-4-[[2-(2-hydroxyethyl)pyrazole-3-carbonyl]amino]oxan-3-yl]oxyacetic acid
CID 91784869
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
4-amino-1-ethyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 65358906
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
CID 26391382
4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 66118023
4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one
CID 114436308
2-hydroxyethyl N-(2-phenylcyclopropyl)carbamate
CID 79348552
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide (CID 119069614) is 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccnn1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide?
The InChIKey is ZAPYHHBDMOBIRF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-9-8-18-14(6-7-16-18)15(20)17-13-10-12(13)11-4-2-1-3-5-11/h1-7,12-13,19H,8-10H2,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide?
2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 119069614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).