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

C13H16N4O2 — CID 107861729

IUPAC4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-17-12(10(14)7-15-17)13(19)16-11(8-18)9-5-3-2-4-6-9/h2-7,11,18H,8,14H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyNCHRMERLDZZZIZ-LLVKDONJSA-N
MW260.30 g/mol
LogP0.47
Rot. Bonds4

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

4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 107861729) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
PubChem CID107861729
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-17-12(10(14)7-15-17)13(19)16-11(8-18)9-5-3-2-4-6-9/h2-7,11,18H,8,14H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyNCHRMERLDZZZIZ-LLVKDONJSA-N
XLogP0.47
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65355933
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
N-(2-hydroxy-1-phenylethyl)-5-methyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 110001403
4-amino-N-[1-(3-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65356173
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide (CID 107861729) is 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NCHRMERLDZZZIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-12(10(14)7-15-17)13(19)16-11(8-18)9-5-3-2-4-6-9/h2-7,11,18H,8,14H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 107861729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).