4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide

C15H20N4O2 — CID 107861753

IUPAC4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N[C@H](CO)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-11-13(16)14(19(2)18-11)15(21)17-12(9-20)10-7-5-4-6-8-10/h4-8,12,20H,3,9,16H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyZKRVXDQXDYSSOD-GFCCVEGCSA-N
MW288.35 g/mol
LogP1.03
Rot. Bonds5

About 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide

4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 107861753) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
PubChem CID107861753
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N[C@H](CO)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-11-13(16)14(19(2)18-11)15(21)17-12(9-20)10-7-5-4-6-8-10/h4-8,12,20H,3,9,16H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyZKRVXDQXDYSSOD-GFCCVEGCSA-N
XLogP1.03
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124147
4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123760
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
1-phenylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117831
4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
CID 66122980
4-amino-3-ethyl-1-methyl-N-(2-phenylcyclopropyl)pyrazole-5-carboxamide
CID 66118023
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
4-amino-3-ethyl-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-5-carboxamide
CID 79756140
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
CID 66016028
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66117385

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide (CID 107861753) is 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N[C@H](CO)c2ccccc2)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is ZKRVXDQXDYSSOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-11-13(16)14(19(2)18-11)15(21)17-12(9-20)10-7-5-4-6-8-10/h4-8,12,20H,3,9,16H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107861753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).