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

C12H21N5O2 — CID 71893193

IUPAC1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC(CNC(=O)NCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C12H21N5O2/c1-10(17-4-6-19-7-5-17)8-13-12(18)14-9-11-2-3-15-16-11/h2-3,10H,4-9H2,1H3,(H,15,16)(H2,13,14,18)
InChIKeyQJDUGVDNRDPYMP-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.07
Rot. Bonds5

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

1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 71893193) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID71893193
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCC(CNC(=O)NCc1ccn[nH]1)N1CCOCC1
InChIInChI=1S/C12H21N5O2/c1-10(17-4-6-19-7-5-17)8-13-12(18)14-9-11-2-3-15-16-11/h2-3,10H,4-9H2,1H3,(H,15,16)(H2,13,14,18)
InChIKeyQJDUGVDNRDPYMP-UHFFFAOYSA-N
XLogP-0.07
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea (CID 71893193) is 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea is CC(CNC(=O)NCc1ccn[nH]1)N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is QJDUGVDNRDPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-10(17-4-6-19-7-5-17)8-13-12(18)14-9-11-2-3-15-16-11/h2-3,10H,4-9H2,1H3,(H,15,16)(H2,13,14,18).
What are the key properties of 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea?
1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 267.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 71893193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).