1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

C16H29N5O — CID 118761326

IUPAC1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)NCCCN(C)C1CCCC1
InChIInChI=1S/C16H29N5O/c1-12-15(13(2)21(4)19-12)18-16(22)17-10-7-11-20(3)14-8-5-6-9-14/h14H,5-11H2,1-4H3,(H2,17,18,22)
InChIKeyKOFKEVAPXAYXJW-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.42
Rot. Bonds6

About 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 118761326) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID118761326
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)NCCCN(C)C1CCCC1
InChIInChI=1S/C16H29N5O/c1-12-15(13(2)21(4)19-12)18-16(22)17-10-7-11-20(3)14-8-5-6-9-14/h14H,5-11H2,1-4H3,(H2,17,18,22)
InChIKeyKOFKEVAPXAYXJW-UHFFFAOYSA-N
XLogP2.42
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 118761326) is 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)NCCCN(C)C1CCCC1.
What is the InChIKey of 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is KOFKEVAPXAYXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12-15(13(2)21(4)19-12)18-16(22)17-10-7-11-20(3)14-8-5-6-9-14/h14H,5-11H2,1-4H3,(H2,17,18,22).
What are the key properties of 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 307.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopentyl(methyl)amino]propyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 118761326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).