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

C13H22N4O2 — CID 111859309

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)N(C)CC(O)C2CC2)cn1
InChIInChI=1S/C13H22N4O2/c1-9(2)17-7-11(6-14-17)15-13(19)16(3)8-12(18)10-4-5-10/h6-7,9-10,12,18H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyPEKGIEVRWPRSGD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.70
Rot. Bonds5

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

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 111859309) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID111859309
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)N(C)CC(O)C2CC2)cn1
InChIInChI=1S/C13H22N4O2/c1-9(2)17-7-11(6-14-17)15-13(19)16(3)8-12(18)10-4-5-10/h6-7,9-10,12,18H,4-5,8H2,1-3H3,(H,15,19)
InChIKeyPEKGIEVRWPRSGD-UHFFFAOYSA-N
XLogP1.70
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
1-(2-cyclopropyl-2-hydroxyethyl)-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 111859174
2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111859231
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
CID 111859076
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methylurea
CID 111859269
2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79269689
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 111859309) is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)N(C)CC(O)C2CC2)cn1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is PEKGIEVRWPRSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)17-7-11(6-14-17)15-13(19)16(3)8-12(18)10-4-5-10/h6-7,9-10,12,18H,4-5,8H2,1-3H3,(H,15,19).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 111859309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).