1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea

C11H20N4O2 — CID 110010595

IUPAC1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(CO)N(C)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H20N4O2/c1-8(2)15-6-10(5-12-15)13-11(17)14(4)9(3)7-16/h5-6,8-9,16H,7H2,1-4H3,(H,13,17)
InChIKeyYVWDNPCSYVRPKU-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.31
Rot. Bonds4

About 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea

1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 110010595) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID110010595
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(CO)N(C)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C11H20N4O2/c1-8(2)15-6-10(5-12-15)13-11(17)14(4)9(3)7-16/h5-6,8-9,16H,7H2,1-4H3,(H,13,17)
InChIKeyYVWDNPCSYVRPKU-UHFFFAOYSA-N
XLogP1.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111578737
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
3-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97341220
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 110010595) is 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(CO)N(C)C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is YVWDNPCSYVRPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)15-6-10(5-12-15)13-11(17)14(4)9(3)7-16/h5-6,8-9,16H,7H2,1-4H3,(H,13,17).
What are the key properties of 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 240.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 110010595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).