1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C23H26N4O — CID 55502520

IUPAC1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C23H26N4O/c28-22(25-18-23(12-6-13-23)21-10-2-1-3-11-21)24-16-19-8-4-5-9-20(19)17-27-15-7-14-26-27/h1-5,7-11,14-15H,6,12-13,16-18H2,(H2,24,25,28)
InChIKeyPUVHOKKRZNSQDC-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.85
Rot. Bonds7

About 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55502520) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55502520
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C23H26N4O/c28-22(25-18-23(12-6-13-23)21-10-2-1-3-11-21)24-16-19-8-4-5-9-20(19)17-27-15-7-14-26-27/h1-5,7-11,14-15H,6,12-13,16-18H2,(H2,24,25,28)
InChIKeyPUVHOKKRZNSQDC-UHFFFAOYSA-N
XLogP3.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 97014256
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
CID 24612713
1-ethyl-3-[(4-phenyloxan-4-yl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850688
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
2-phenylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 46684646
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
CID 55836456
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850609

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 55502520) is 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccccc1Cn1cccn1)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is PUVHOKKRZNSQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-22(25-18-23(12-6-13-23)21-10-2-1-3-11-21)24-16-19-8-4-5-9-20(19)17-27-15-7-14-26-27/h1-5,7-11,14-15H,6,12-13,16-18H2,(H2,24,25,28).
What are the key properties of 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 374.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclobutyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55502520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).