1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C16H26N4O2 — CID 128727902

IUPAC1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCOCC1CCC(NC(=O)NC2CCCc3cn[nH]c32)CC1
InChIInChI=1S/C16H26N4O2/c1-22-10-11-5-7-13(8-6-11)18-16(21)19-14-4-2-3-12-9-17-20-15(12)14/h9,11,13-14H,2-8,10H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyAGUHXBCYFUSCCS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 128727902) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID128727902
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCOCC1CCC(NC(=O)NC2CCCc3cn[nH]c32)CC1
InChIInChI=1S/C16H26N4O2/c1-22-10-11-5-7-13(8-6-11)18-16(21)19-14-4-2-3-12-9-17-20-15(12)14/h9,11,13-14H,2-8,10H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyAGUHXBCYFUSCCS-UHFFFAOYSA-N
XLogP2.29
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 128727902) is 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is COCC1CCC(NC(=O)NC2CCCc3cn[nH]c32)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is AGUHXBCYFUSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-10-11-5-7-13(8-6-11)18-16(21)19-14-4-2-3-12-9-17-20-15(12)14/h9,11,13-14H,2-8,10H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 128727902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).