1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea

C19H22N4O — CID 139001345

IUPAC1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea
SMILESCC(C)(CCc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H22N4O/c1-19(2,11-10-14-6-4-3-5-7-14)22-18(24)21-16-8-9-17-15(12-16)13-20-23-17/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyDEGVQSMFRZFZBT-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.10
Rot. Bonds5

About 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea

1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea (PubChem CID 139001345) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea
PubChem CID139001345
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea
SMILESCC(C)(CCc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H22N4O/c1-19(2,11-10-14-6-4-3-5-7-14)22-18(24)21-16-8-9-17-15(12-16)13-20-23-17/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyDEGVQSMFRZFZBT-UHFFFAOYSA-N
XLogP4.10
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-(4-phenylbutan-2-yl)-1H-indazol-5-amine
CID 43690949
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
N-(1H-indazol-5-yl)-6-methyl-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 11749186
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-(2-phenylethyl)-1,4-dihydropyrimidine-5-carboxamide
CID 11510682
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944700
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
CID 142520969

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea?
The IUPAC name of 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea (CID 139001345) is 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea is CC(C)(CCc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea?
The InChIKey is DEGVQSMFRZFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,11-10-14-6-4-3-5-7-14)22-18(24)21-16-8-9-17-15(12-16)13-20-23-17/h3-9,12-13H,10-11H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea?
1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea has a molecular weight of 322.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-3-(2-methyl-4-phenylbutan-2-yl)urea is sourced from PubChem (CID 139001345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).