1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C14H22N4O — CID 75513544

IUPAC1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCN(CC1CCC1)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C14H22N4O/c1-18(9-10-4-2-5-10)14(19)16-12-7-3-6-11-8-15-17-13(11)12/h8,10,12H,2-7,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyOGXRUUOLZDHIFG-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.23
Rot. Bonds3

About 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 75513544) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID75513544
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCN(CC1CCC1)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C14H22N4O/c1-18(9-10-4-2-5-10)14(19)16-12-7-3-6-11-8-15-17-13(11)12/h8,10,12H,2-7,9H2,1H3,(H,15,17)(H,16,19)
InChIKeyOGXRUUOLZDHIFG-UHFFFAOYSA-N
XLogP2.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 75513544) is 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is CN(CC1CCC1)C(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is OGXRUUOLZDHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(9-10-4-2-5-10)14(19)16-12-7-3-6-11-8-15-17-13(11)12/h8,10,12H,2-7,9H2,1H3,(H,15,17)(H,16,19).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 262.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 75513544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).