1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

C15H24N4O3 — CID 136523674

IUPAC1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCn1ncc2c1CCCC2NC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H24N4O3/c1-19-13-4-2-3-12(11(13)9-17-19)18-14(20)16-10-15(21)5-7-22-8-6-15/h9,12,21H,2-8,10H2,1H3,(H2,16,18,20)
InChIKeyGNAGJELQEHRNDX-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.64
Rot. Bonds3

About 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (PubChem CID 136523674) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
PubChem CID136523674
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCn1ncc2c1CCCC2NC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H24N4O3/c1-19-13-4-2-3-12(11(13)9-17-19)18-14(20)16-10-15(21)5-7-22-8-6-15/h9,12,21H,2-8,10H2,1H3,(H2,16,18,20)
InChIKeyGNAGJELQEHRNDX-UHFFFAOYSA-N
XLogP0.64
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
CID 120925257
4-methyl-1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115552
1-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122988
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 65464227
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
1-[(2R)-2-anilino-3-methylbutyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 94052333
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119293137

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The IUPAC name of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (CID 136523674) is 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.
What is the SMILES notation for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The canonical SMILES for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is Cn1ncc2c1CCCC2NC(=O)NCC1(O)CCOCC1.
What is the InChIKey of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The InChIKey is GNAGJELQEHRNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-19-13-4-2-3-12(11(13)9-17-19)18-14(20)16-10-15(21)5-7-22-8-6-15/h9,12,21H,2-8,10H2,1H3,(H2,16,18,20).
What are the key properties of 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea has a molecular weight of 308.38 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is sourced from PubChem (CID 136523674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).