1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea

C14H25N5O2 — CID 71893417

IUPAC1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC(C)C(CNC(=O)NCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C14H25N5O2/c1-11(2)13(19-5-7-21-8-6-19)10-16-14(20)15-9-12-3-4-17-18-12/h3-4,11,13H,5-10H2,1-2H3,(H,17,18)(H2,15,16,20)
InChIKeyBURFYBVOTPWFGC-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.57
Rot. Bonds6

About 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea

1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 71893417) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID71893417
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC(C)C(CNC(=O)NCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C14H25N5O2/c1-11(2)13(19-5-7-21-8-6-19)10-16-14(20)15-9-12-3-4-17-18-12/h3-4,11,13H,5-10H2,1-2H3,(H,17,18)(H2,15,16,20)
InChIKeyBURFYBVOTPWFGC-UHFFFAOYSA-N
XLogP0.57
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea (CID 71893417) is 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea is CC(C)C(CNC(=O)NCc1ccn[nH]1)N1CCOCC1.
What is the InChIKey of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is BURFYBVOTPWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)13(19-5-7-21-8-6-19)10-16-14(20)15-9-12-3-4-17-18-12/h3-4,11,13H,5-10H2,1-2H3,(H,17,18)(H2,15,16,20).
What are the key properties of 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea?
1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 295.39 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-morpholin-4-ylbutyl)-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 71893417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).