1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea

C14H25N5O2 — CID 154770335

IUPAC1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
SMILESCOc1nn(C)cc1NC(=O)NCC1CCCCN(C)C1
InChIInChI=1S/C14H25N5O2/c1-18-7-5-4-6-11(9-18)8-15-14(20)16-12-10-19(2)17-13(12)21-3/h10-11H,4-9H2,1-3H3,(H2,15,16,20)
InChIKeyWXZVKPSYHJBHDW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.28
Rot. Bonds4

About 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea

1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea (PubChem CID 154770335) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
PubChem CID154770335
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea
SMILESCOc1nn(C)cc1NC(=O)NCC1CCCCN(C)C1
InChIInChI=1S/C14H25N5O2/c1-18-7-5-4-6-11(9-18)8-15-14(20)16-12-10-19(2)17-13(12)21-3/h10-11H,4-9H2,1-3H3,(H2,15,16,20)
InChIKeyWXZVKPSYHJBHDW-UHFFFAOYSA-N
XLogP1.28
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-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-(3-methoxy-1-methylpyrazol-4-yl)-3-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 138025070
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
1-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(3-methoxy-1-methylpyrazol-4-yl)urea
CID 138025091
4-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 102806619
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
1-[(1-methylazepan-3-yl)methyl]-3-[(1-methyl-2-oxopiperidin-4-yl)methyl]urea
CID 154765263
(2R)-2-bromo-N-(3-methoxy-1-methylpyrazol-4-yl)propanamide
CID 129452314
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
3-methoxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 81084966
1-(2-methoxyphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 94800132
1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
CID 108902883

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea?
The IUPAC name of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea (CID 154770335) is 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea is COc1nn(C)cc1NC(=O)NCC1CCCCN(C)C1.
What is the InChIKey of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea?
The InChIKey is WXZVKPSYHJBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-18-7-5-4-6-11(9-18)8-15-14(20)16-12-10-19(2)17-13(12)21-3/h10-11H,4-9H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea?
1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea has a molecular weight of 295.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methylpyrazol-4-yl)-3-[(1-methylazepan-3-yl)methyl]urea is sourced from PubChem (CID 154770335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).