(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide

C13H16N4O2 — CID 61156101

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)cn1
InChIInChI=1S/C13H16N4O2/c1-17-8-10(7-15-17)16-13(19)12(14)6-9-2-4-11(18)5-3-9/h2-5,7-8,12,18H,6,14H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyOLRCMKWABIBLSK-LBPRGKRZSA-N
MW260.30 g/mol
LogP0.63
Rot. Bonds4

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 61156101) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID61156101
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)cn1
InChIInChI=1S/C13H16N4O2/c1-17-8-10(7-15-17)16-13(19)12(14)6-9-2-4-11(18)5-3-9/h2-5,7-8,12,18H,6,14H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyOLRCMKWABIBLSK-LBPRGKRZSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 43705851
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
2-amino-3-(4-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 114350675

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide (CID 61156101) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)cn1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is OLRCMKWABIBLSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-8-10(7-15-17)16-13(19)12(14)6-9-2-4-11(18)5-3-9/h2-5,7-8,12,18H,6,14H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 61156101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).