1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea

C18H25N5O3 — CID 77460994

IUPAC1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea
SMILESCCn1nccc1Oc1cc(CC2CC(C)(O)C2)cnc1NC(=O)NC
InChIInChI=1S/C18H25N5O3/c1-4-23-15(5-6-21-23)26-14-8-12(7-13-9-18(2,25)10-13)11-20-16(14)22-17(24)19-3/h5-6,8,11,13,25H,4,7,9-10H2,1-3H3,(H2,19,20,22,24)
InChIKeyAZHFAXGDRCIDKF-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.55
Rot. Bonds6

About 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea

1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea (PubChem CID 77460994) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea
PubChem CID77460994
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea
SMILESCCn1nccc1Oc1cc(CC2CC(C)(O)C2)cnc1NC(=O)NC
InChIInChI=1S/C18H25N5O3/c1-4-23-15(5-6-21-23)26-14-8-12(7-13-9-18(2,25)10-13)11-20-16(14)22-17(24)19-3/h5-6,8,11,13,25H,4,7,9-10H2,1-3H3,(H2,19,20,22,24)
InChIKeyAZHFAXGDRCIDKF-UHFFFAOYSA-N
XLogP2.55
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea (CID 77460994) is 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea is CCn1nccc1Oc1cc(CC2CC(C)(O)C2)cnc1NC(=O)NC.
What is the InChIKey of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea?
The InChIKey is AZHFAXGDRCIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-23-15(5-6-21-23)26-14-8-12(7-13-9-18(2,25)10-13)11-20-16(14)22-17(24)19-3/h5-6,8,11,13,25H,4,7,9-10H2,1-3H3,(H2,19,20,22,24).
What are the key properties of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea?
1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea has a molecular weight of 359.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-[(3-hydroxy-3-methylcyclobutyl)methyl]-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 77460994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).