3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea

C21H30N4O2 — CID 122566068

IUPAC3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
SMILESCOCC1(CNC(=O)N(C)Cc2cnn(-c3ccccc3C)c2)CCCC1
InChIInChI=1S/C21H30N4O2/c1-17-8-4-5-9-19(17)25-14-18(12-23-25)13-24(2)20(26)22-15-21(16-27-3)10-6-7-11-21/h4-5,8-9,12,14H,6-7,10-11,13,15-16H2,1-3H3,(H,22,26)
InChIKeyNPDQKQZZCNHTIU-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.53
Rot. Bonds7

About 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea

3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea (PubChem CID 122566068) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
PubChem CID122566068
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
SMILESCOCC1(CNC(=O)N(C)Cc2cnn(-c3ccccc3C)c2)CCCC1
InChIInChI=1S/C21H30N4O2/c1-17-8-4-5-9-19(17)25-14-18(12-23-25)13-24(2)20(26)22-15-21(16-27-3)10-6-7-11-21/h4-5,8-9,12,14H,6-7,10-11,13,15-16H2,1-3H3,(H,22,26)
InChIKeyNPDQKQZZCNHTIU-UHFFFAOYSA-N
XLogP3.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]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-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[[1-(methoxymethyl)cyclobutyl]methyl]methanamine
CID 131908261
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56896932
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72861011
3-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methyl-1-[(4-phenylphenyl)methyl]urea
CID 122563898
(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125155795
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 110121793
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-dithiepan-6-amine
CID 131951782
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 16608962
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120891073
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
CID 110121736

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea?
The IUPAC name of 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea (CID 122566068) is 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea.
What is the SMILES notation for 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea?
The canonical SMILES for 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea is COCC1(CNC(=O)N(C)Cc2cnn(-c3ccccc3C)c2)CCCC1.
What is the InChIKey of 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea?
The InChIKey is NPDQKQZZCNHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-17-8-4-5-9-19(17)25-14-18(12-23-25)13-24(2)20(26)22-15-21(16-27-3)10-6-7-11-21/h4-5,8-9,12,14H,6-7,10-11,13,15-16H2,1-3H3,(H,22,26).
What are the key properties of 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea?
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea has a molecular weight of 370.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea is sourced from PubChem (CID 122566068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).