1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea

C15H26N4O2 — CID 111505787

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(CCCNC(=O)NC2CCCC2(C)CO)cn1
InChIInChI=1S/C15H26N4O2/c1-15(11-20)7-3-6-13(15)18-14(21)16-8-4-5-12-9-17-19(2)10-12/h9-10,13,20H,3-8,11H2,1-2H3,(H2,16,18,21)
InChIKeyRDPZHFWAXLHULE-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.20
Rot. Bonds6

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 111505787) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID111505787
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCn1cc(CCCNC(=O)NC2CCCC2(C)CO)cn1
InChIInChI=1S/C15H26N4O2/c1-15(11-20)7-3-6-13(15)18-14(21)16-8-4-5-12-9-17-19(2)10-12/h9-10,13,20H,3-8,11H2,1-2H3,(H2,16,18,21)
InChIKeyRDPZHFWAXLHULE-UHFFFAOYSA-N
XLogP1.20
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 111504183
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 97186910
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 96524449
1-[(4-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504585
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 80689093
1-(4-hydroxy-2,2-dimethylbutyl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505788
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
1-cyclopropyl-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110934875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea (CID 111505787) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea is Cn1cc(CCCNC(=O)NC2CCCC2(C)CO)cn1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is RDPZHFWAXLHULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(11-20)7-3-6-13(15)18-14(21)16-8-4-5-12-9-17-19(2)10-12/h9-10,13,20H,3-8,11H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 111505787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).