1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C15H24N4O2 — CID 75496343

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCN(CC1CCCC1O)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H24N4O2/c1-19(9-11-5-3-7-13(11)20)15(21)17-12-6-2-4-10-8-16-18-14(10)12/h8,11-13,20H,2-7,9H2,1H3,(H,16,18)(H,17,21)
InChIKeyRZFMDKOEENSBFA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.59
Rot. Bonds3

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 75496343) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID75496343
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCN(CC1CCCC1O)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C15H24N4O2/c1-19(9-11-5-3-7-13(11)20)15(21)17-12-6-2-4-10-8-16-18-14(10)12/h8,11-13,20H,2-7,9H2,1H3,(H,16,18)(H,17,21)
InChIKeyRZFMDKOEENSBFA-UHFFFAOYSA-N
XLogP1.59
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 75496343) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is CN(CC1CCCC1O)C(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is RZFMDKOEENSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(9-11-5-3-7-13(11)20)15(21)17-12-6-2-4-10-8-16-18-14(10)12/h8,11-13,20H,2-7,9H2,1H3,(H,16,18)(H,17,21).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 292.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 75496343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).