N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide

C18H17N3O2 — CID 90910708

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1nnc2cccccc1-2
InChIInChI=1S/C18H17N3O2/c22-12-14(11-13-7-3-1-4-8-13)19-18(23)17-15-9-5-2-6-10-16(15)20-21-17/h1-10,14,22H,11-12H2,(H,19,23)/t14-/m1/s1
InChIKeyLNODOQZQWLIGOZ-CQSZACIVSA-N
MW307.35 g/mol
LogP1.91
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide (PubChem CID 90910708) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide
PubChem CID90910708
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)c1nnc2cccccc1-2
InChIInChI=1S/C18H17N3O2/c22-12-14(11-13-7-3-1-4-8-13)19-18(23)17-15-9-5-2-6-10-16(15)20-21-17/h1-10,14,22H,11-12H2,(H,19,23)/t14-/m1/s1
InChIKeyLNODOQZQWLIGOZ-CQSZACIVSA-N
XLogP1.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide (CID 90910708) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide is O=C(N[C@@H](CO)Cc1ccccc1)c1nnc2cccccc1-2.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide?
The InChIKey is LNODOQZQWLIGOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-12-14(11-13-7-3-1-4-8-13)19-18(23)17-15-9-5-2-6-10-16(15)20-21-17/h1-10,14,22H,11-12H2,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohepta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 90910708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).