3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea

C17H25N5O2 — CID 72855127

IUPAC3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCc1nn(C)c(NC(=O)N(CCOC)Cc2cccnc2)c1C
InChIInChI=1S/C17H25N5O2/c1-5-15-13(2)16(21(3)20-15)19-17(23)22(9-10-24-4)12-14-7-6-8-18-11-14/h6-8,11H,5,9-10,12H2,1-4H3,(H,19,23)
InChIKeyYVPRYFRVRKBDQN-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.37
Rot. Bonds7

About 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea

3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 72855127) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID72855127
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea
SMILESCCc1nn(C)c(NC(=O)N(CCOC)Cc2cccnc2)c1C
InChIInChI=1S/C17H25N5O2/c1-5-15-13(2)16(21(3)20-15)19-17(23)22(9-10-24-4)12-14-7-6-8-18-11-14/h6-8,11H,5,9-10,12H2,1-4H3,(H,19,23)
InChIKeyYVPRYFRVRKBDQN-UHFFFAOYSA-N
XLogP2.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)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

methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
CID 118781930
(2R)-N-(2-methoxyethyl)-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 124505741
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
5-chloro-N-(2-methoxyethyl)-4,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 74231531
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-pyridin-4-ylpropanamide
CID 134695978
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085266
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 124756503

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea (CID 72855127) is 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea is CCc1nn(C)c(NC(=O)N(CCOC)Cc2cccnc2)c1C.
What is the InChIKey of 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is YVPRYFRVRKBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-15-13(2)16(21(3)20-15)19-17(23)22(9-10-24-4)12-14-7-6-8-18-11-14/h6-8,11H,5,9-10,12H2,1-4H3,(H,19,23).
What are the key properties of 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea?
3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 331.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 72855127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).