1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

C20H25N7O2 — CID 138992785

IUPAC1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-n1cccn1)Nc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C20H25N7O2/c28-20(21-14-17-4-1-2-5-19(17)27-7-3-6-22-27)24-18-15-23-26(16-18)9-8-25-10-12-29-13-11-25/h1-7,15-16H,8-14H2,(H2,21,24,28)
InChIKeyLYIKSZQAPCJVSB-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.72
Rot. Bonds7

About 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 138992785) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
PubChem CID138992785
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-n1cccn1)Nc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C20H25N7O2/c28-20(21-14-17-4-1-2-5-19(17)27-7-3-6-22-27)24-18-15-23-26(16-18)9-8-25-10-12-29-13-11-25/h1-7,15-16H,8-14H2,(H2,21,24,28)
InChIKeyLYIKSZQAPCJVSB-UHFFFAOYSA-N
XLogP1.72
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (CID 138992785) is 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is O=C(NCc1ccccc1-n1cccn1)Nc1cnn(CCN2CCOCC2)c1.
What is the InChIKey of 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is LYIKSZQAPCJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c28-20(21-14-17-4-1-2-5-19(17)27-7-3-6-22-27)24-18-15-23-26(16-18)9-8-25-10-12-29-13-11-25/h1-7,15-16H,8-14H2,(H2,21,24,28).
What are the key properties of 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 395.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 138992785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).