1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea

C19H21N5O2 — CID 135223350

IUPAC1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
SMILESCOc1ccc(Cn2cc(CNC(=O)Nc3ccc(N)cc3)cn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-18-8-2-14(3-9-18)12-24-13-15(11-22-24)10-21-19(25)23-17-6-4-16(20)5-7-17/h2-9,11,13H,10,12,20H2,1H3,(H2,21,23,25)
InChIKeyQNAAZGPFJPGBHJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea

1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea (PubChem CID 135223350) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
PubChem CID135223350
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
SMILESCOc1ccc(Cn2cc(CNC(=O)Nc3ccc(N)cc3)cn2)cc1
InChIInChI=1S/C19H21N5O2/c1-26-18-8-2-14(3-9-18)12-24-13-15(11-22-24)10-21-19(25)23-17-6-4-16(20)5-7-17/h2-9,11,13H,10,12,20H2,1H3,(H2,21,23,25)
InChIKeyQNAAZGPFJPGBHJ-UHFFFAOYSA-N
XLogP2.84
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-3-(4-nitrophenyl)urea
CID 135222670
1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
CID 170288394
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 62991565
4-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoylamino]butanoic acid
CID 122022440
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 42464619
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea (CID 135223350) is 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea is COc1ccc(Cn2cc(CNC(=O)Nc3ccc(N)cc3)cn2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea?
The InChIKey is QNAAZGPFJPGBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-18-8-2-14(3-9-18)12-24-13-15(11-22-24)10-21-19(25)23-17-6-4-16(20)5-7-17/h2-9,11,13H,10,12,20H2,1H3,(H2,21,23,25).
What are the key properties of 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea?
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea has a molecular weight of 351.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea is sourced from PubChem (CID 135223350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).