1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea

C17H23N5O2 — CID 110896107

IUPAC1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
SMILESCc1cc(C)n(-c2ccc(CNC(=O)N(CCO)C3CC3)cn2)n1
InChIInChI=1S/C17H23N5O2/c1-12-9-13(2)22(20-12)16-6-3-14(10-18-16)11-19-17(24)21(7-8-23)15-4-5-15/h3,6,9-10,15,23H,4-5,7-8,11H2,1-2H3,(H,19,24)
InChIKeyUOJYVGZIRBCHNX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.55
Rot. Bonds6

About 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea

1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea (PubChem CID 110896107) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
PubChem CID110896107
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
SMILESCc1cc(C)n(-c2ccc(CNC(=O)N(CCO)C3CC3)cn2)n1
InChIInChI=1S/C17H23N5O2/c1-12-9-13(2)22(20-12)16-6-3-14(10-18-16)11-19-17(24)21(7-8-23)15-4-5-15/h3,6,9-10,15,23H,4-5,7-8,11H2,1-2H3,(H,19,24)
InChIKeyUOJYVGZIRBCHNX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
methyl 1-[N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253449
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128779
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848561
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444240
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 86999039
1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55969112
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea (CID 110896107) is 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea is Cc1cc(C)n(-c2ccc(CNC(=O)N(CCO)C3CC3)cn2)n1.
What is the InChIKey of 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is UOJYVGZIRBCHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-9-13(2)22(20-12)16-6-3-14(10-18-16)11-19-17(24)21(7-8-23)15-4-5-15/h3,6,9-10,15,23H,4-5,7-8,11H2,1-2H3,(H,19,24).
What are the key properties of 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 329.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).