3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

C19H20N4O2 — CID 156568971

IUPAC3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESNCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(CO)cc1
InChIInChI=1S/C19H20N4O2/c20-9-18(15-3-1-13(12-24)2-4-15)19(25)23-17-7-5-14(6-8-17)16-10-21-22-11-16/h1-8,10-11,18,24H,9,12,20H2,(H,21,22)(H,23,25)
InChIKeyANGDJJFQAIUXQR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.25
Rot. Bonds6

About 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 156568971) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID156568971
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESNCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(CO)cc1
InChIInChI=1S/C19H20N4O2/c20-9-18(15-3-1-13(12-24)2-4-15)19(25)23-17-7-5-14(6-8-17)16-10-21-22-11-16/h1-8,10-11,18,24H,9,12,20H2,(H,21,22)(H,23,25)
InChIKeyANGDJJFQAIUXQR-UHFFFAOYSA-N
XLogP2.25
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 153113467
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]prop-2-enamide;dihydrochloride
CID 166026442
(2R)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide
CID 139553989
3-amino-2-azido-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide;dihydrochloride
CID 156562844
2-(ethylamino)-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425585
3-amino-2-[3-(hydroxymethyl)phenyl]-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994824
2-[3-(dimethylamino)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]butanamide
CID 158988611
2-(ethylamino)-2-(4-methoxyphenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425551
3-amino-2-(4-cyanophenyl)-N-[3-(1H-pyrazol-4-yl)-1H-indol-7-yl]propanamide
CID 175994904
(2S)-3-amino-2-phenyl-N-[7-(1H-pyrazol-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]propanamide
CID 175994891
3-amino-N-(7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(hydroxymethyl)phenyl]propanamide
CID 167287630

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 156568971) is 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is NCC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(CO)cc1.
What is the InChIKey of 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is ANGDJJFQAIUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c20-9-18(15-3-1-13(12-24)2-4-15)19(25)23-17-7-5-14(6-8-17)16-10-21-22-11-16/h1-8,10-11,18,24H,9,12,20H2,(H,21,22)(H,23,25).
What are the key properties of 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(hydroxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 156568971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).