1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

C17H28N4O2 — CID 127597355

IUPAC1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCCCN(CC1CCCCO1)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C17H28N4O2/c1-2-9-21(12-14-7-3-4-10-23-14)17(22)19-15-8-5-6-13-11-18-20-16(13)15/h11,14-15H,2-10,12H2,1H3,(H,18,20)(H,19,22)
InChIKeySVPWOJXYFSKONN-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.78
Rot. Bonds5

About 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea

1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (PubChem CID 127597355) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
PubChem CID127597355
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
SMILESCCCN(CC1CCCCO1)C(=O)NC1CCCc2cn[nH]c21
InChIInChI=1S/C17H28N4O2/c1-2-9-21(12-14-7-3-4-10-23-14)17(22)19-15-8-5-6-13-11-18-20-16(13)15/h11,14-15H,2-10,12H2,1H3,(H,18,20)(H,19,22)
InChIKeySVPWOJXYFSKONN-UHFFFAOYSA-N
XLogP2.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
CID 138043861
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
CID 119787817
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
3-(4-methyl-2-pyridinyl)-1-(oxan-2-ylmethyl)-1-propylurea
CID 86799962
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
CID 120792434
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
3-(4-fluorophenyl)-N-[(7R)-4,5,6,7-tetrahydro-1H-indazol-7-yl]propanamide
CID 97323769

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The IUPAC name of 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea (CID 127597355) is 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The canonical SMILES for 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is CCCN(CC1CCCCO1)C(=O)NC1CCCc2cn[nH]c21.
What is the InChIKey of 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
The InChIKey is SVPWOJXYFSKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-9-21(12-14-7-3-4-10-23-14)17(22)19-15-8-5-6-13-11-18-20-16(13)15/h11,14-15H,2-10,12H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea?
1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea has a molecular weight of 320.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-1-propyl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea is sourced from PubChem (CID 127597355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).