1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea

C14H18N4O2 — CID 166286364

IUPAC1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]ncc2c1)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H18N4O2/c19-13-4-2-1-3-12(13)17-14(20)16-10-5-6-11-9(7-10)8-15-18-11/h5-8,12-13,19H,1-4H2,(H,15,18)(H2,16,17,20)/t12-,13+/m1/s1
InChIKeyCZYFAAFWEKQPIH-OLZOCXBDSA-N
MW274.32 g/mol
LogP1.99
Rot. Bonds2

About 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea

1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea (PubChem CID 166286364) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
PubChem CID166286364
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccc2[nH]ncc2c1)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C14H18N4O2/c19-13-4-2-1-3-12(13)17-14(20)16-10-5-6-11-9(7-10)8-15-18-11/h5-8,12-13,19H,1-4H2,(H,15,18)(H2,16,17,20)/t12-,13+/m1/s1
InChIKeyCZYFAAFWEKQPIH-OLZOCXBDSA-N
XLogP1.99
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
1-[(1R,2S)-2-[[(3S)-3-benzyl-5-oxopiperazin-1-yl]methyl]cyclohexyl]-3-(1H-indazol-5-yl)urea
CID 10173902
2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62360010
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944700
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
N-(1H-indazol-5-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119683903
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea (CID 166286364) is 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea is O=C(Nc1ccc2[nH]ncc2c1)N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea?
The InChIKey is CZYFAAFWEKQPIH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13-4-2-1-3-12(13)17-14(20)16-10-5-6-11-9(7-10)8-15-18-11/h5-8,12-13,19H,1-4H2,(H,15,18)(H2,16,17,20)/t12-,13+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea?
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea has a molecular weight of 274.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 166286364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).