1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C17H23N5O2 — CID 111859411

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)N(C)CC(O)C2CC2)n(Cc2ccccn2)n1
InChIInChI=1S/C17H23N5O2/c1-12-9-16(22(20-12)10-14-5-3-4-8-18-14)19-17(24)21(2)11-15(23)13-6-7-13/h3-5,8-9,13,15,23H,6-7,10-11H2,1-2H3,(H,19,24)
InChIKeyDUUNBYWTOPKCBX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 111859411) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID111859411
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESCc1cc(NC(=O)N(C)CC(O)C2CC2)n(Cc2ccccn2)n1
InChIInChI=1S/C17H23N5O2/c1-12-9-16(22(20-12)10-14-5-3-4-8-18-14)19-17(24)21(2)11-15(23)13-6-7-13/h3-5,8-9,13,15,23H,6-7,10-11H2,1-2H3,(H,19,24)
InChIKeyDUUNBYWTOPKCBX-UHFFFAOYSA-N
XLogP1.87
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71971474
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859399
3-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075415
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methyl-3-[3-(2-pyridin-2-ylethynyl)phenyl]urea
CID 96560355
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
N-(2-benzyl-5-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55580302

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 111859411) is 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is Cc1cc(NC(=O)N(C)CC(O)C2CC2)n(Cc2ccccn2)n1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is DUUNBYWTOPKCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-9-16(22(20-12)10-14-5-3-4-8-18-14)19-17(24)21(2)11-15(23)13-6-7-13/h3-5,8-9,13,15,23H,6-7,10-11H2,1-2H3,(H,19,24).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 329.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 111859411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).