1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea

C21H21N7O — CID 166209972

IUPAC1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C21H21N7O/c29-21(25-20-8-13-28(26-20)15-17-6-10-22-11-7-17)23-14-18-4-1-2-5-19(18)16-27-12-3-9-24-27/h1-13H,14-16H2,(H2,23,25,26,29)
InChIKeyPVXUUUHWUDAAIU-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.89
Rot. Bonds7

About 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea

1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea (PubChem CID 166209972) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
PubChem CID166209972
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)Nc1ccn(Cc2ccncc2)n1
InChIInChI=1S/C21H21N7O/c29-21(25-20-8-13-28(26-20)15-17-6-10-22-11-7-17)23-14-18-4-1-2-5-19(18)16-27-12-3-9-24-27/h1-13H,14-16H2,(H2,23,25,26,29)
InChIKeyPVXUUUHWUDAAIU-UHFFFAOYSA-N
XLogP2.89
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
1-[(2-phenylcyclopropyl)methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 75422962
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290797
1-(2,5-dichlorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 51130131
1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548
1-[3-(difluoromethoxy)phenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55738450
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
1-(4-methylsulfanylphenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 99836283
1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695482

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea (CID 166209972) is 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea is O=C(NCc1ccccc1Cn1cccn1)Nc1ccn(Cc2ccncc2)n1.
What is the InChIKey of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is PVXUUUHWUDAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c29-21(25-20-8-13-28(26-20)15-17-6-10-22-11-7-17)23-14-18-4-1-2-5-19(18)16-27-12-3-9-24-27/h1-13H,14-16H2,(H2,23,25,26,29).
What are the key properties of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea?
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 387.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 166209972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).