N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide

C18H25N3O2 — CID 95119417

IUPACN-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)n(C)n1
InChIInChI=1S/C18H25N3O2/c1-13(2)15-12-16(21(4)19-15)18(23)20(3)11-10-17(22)14-8-6-5-7-9-14/h5-9,12-13,17,22H,10-11H2,1-4H3/t17-/m1/s1
InChIKeyIRSJEUJMJSOGIV-QGZVFWFLSA-N
MW315.42 g/mol
LogP2.74
Rot. Bonds6

About N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 95119417) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID95119417
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)n(C)n1
InChIInChI=1S/C18H25N3O2/c1-13(2)15-12-16(21(4)19-15)18(23)20(3)11-10-17(22)14-8-6-5-7-9-14/h5-9,12-13,17,22H,10-11H2,1-4H3/t17-/m1/s1
InChIKeyIRSJEUJMJSOGIV-QGZVFWFLSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 95119417) is N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(C)CC[C@@H](O)c2ccccc2)n(C)n1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is IRSJEUJMJSOGIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)15-12-16(21(4)19-15)18(23)20(3)11-10-17(22)14-8-6-5-7-9-14/h5-9,12-13,17,22H,10-11H2,1-4H3/t17-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 95119417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).