4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

C15H20N4O2 — CID 105057664

IUPAC4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)(CO)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-10-12(16)13(19(3)18-10)14(21)17-15(2,9-20)11-7-5-4-6-8-11/h4-8,20H,9,16H2,1-3H3,(H,17,21)
InChIKeyIENYQNXBUDJNNB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 105057664) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID105057664
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)(CO)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-10-12(16)13(19(3)18-10)14(21)17-15(2,9-20)11-7-5-4-6-8-11/h4-8,20H,9,16H2,1-3H3,(H,17,21)
InChIKeyIENYQNXBUDJNNB-UHFFFAOYSA-N
XLogP0.95
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide (CID 105057664) is 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)(CO)c2ccccc2)c1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is IENYQNXBUDJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-12(16)13(19(3)18-10)14(21)17-15(2,9-20)11-7-5-4-6-8-11/h4-8,20H,9,16H2,1-3H3,(H,17,21).
What are the key properties of 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 105057664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).