1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea

C18H25N5O3 — CID 71603584

IUPAC1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea
SMILESCCn1nccc1Oc1cc(CC2CCOCC2)cnc1NC(=O)NC
InChIInChI=1S/C18H25N5O3/c1-3-23-16(4-7-21-23)26-15-11-14(10-13-5-8-25-9-6-13)12-20-17(15)22-18(24)19-2/h4,7,11-13H,3,5-6,8-10H2,1-2H3,(H2,19,20,22,24)
InChIKeyNLQRZZOZBUYIOK-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.81
Rot. Bonds6

About 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea

1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea (PubChem CID 71603584) 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-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea
PubChem CID71603584
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea
SMILESCCn1nccc1Oc1cc(CC2CCOCC2)cnc1NC(=O)NC
InChIInChI=1S/C18H25N5O3/c1-3-23-16(4-7-21-23)26-15-11-14(10-13-5-8-25-9-6-13)12-20-17(15)22-18(24)19-2/h4,7,11-13H,3,5-6,8-10H2,1-2H3,(H2,19,20,22,24)
InChIKeyNLQRZZOZBUYIOK-UHFFFAOYSA-N
XLogP2.81
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-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-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea (CID 71603584) is 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea is CCn1nccc1Oc1cc(CC2CCOCC2)cnc1NC(=O)NC.
What is the InChIKey of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea?
The InChIKey is NLQRZZOZBUYIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-23-16(4-7-21-23)26-15-11-14(10-13-5-8-25-9-6-13)12-20-17(15)22-18(24)19-2/h4,7,11-13H,3,5-6,8-10H2,1-2H3,(H2,19,20,22,24).
What are the key properties of 1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea?
1-[3-(2-ethylpyrazol-3-yl)oxy-5-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea has a molecular weight of 359.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 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-(oxan-4-ylmethyl)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 71603584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).