1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea

C14H25N5O3 — CID 94095897

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
SMILESCOCCn1cc(NC(=O)NC[C@@H](C)N2CCOCC2)cn1
InChIInChI=1S/C14H25N5O3/c1-12(18-3-7-22-8-4-18)9-15-14(20)17-13-10-16-19(11-13)5-6-21-2/h10-12H,3-9H2,1-2H3,(H2,15,17,20)/t12-/m1/s1
InChIKeyAFSPMEYCKLZXMB-GFCCVEGCSA-N
MW311.39 g/mol
LogP0.37
Rot. Bonds7

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea (PubChem CID 94095897) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
PubChem CID94095897
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
SMILESCOCCn1cc(NC(=O)NC[C@@H](C)N2CCOCC2)cn1
InChIInChI=1S/C14H25N5O3/c1-12(18-3-7-22-8-4-18)9-15-14(20)17-13-10-16-19(11-13)5-6-21-2/h10-12H,3-9H2,1-2H3,(H2,15,17,20)/t12-/m1/s1
InChIKeyAFSPMEYCKLZXMB-GFCCVEGCSA-N
XLogP0.37
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea (CID 94095897) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea is COCCn1cc(NC(=O)NC[C@@H](C)N2CCOCC2)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea?
The InChIKey is AFSPMEYCKLZXMB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-12(18-3-7-22-8-4-18)9-15-14(20)17-13-10-16-19(11-13)5-6-21-2/h10-12H,3-9H2,1-2H3,(H2,15,17,20)/t12-/m1/s1.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea has a molecular weight of 311.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea is sourced from PubChem (CID 94095897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).