1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea

C20H29N5O2 — CID 118791224

IUPAC1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)25-18(17(15-22-25)16-7-5-4-6-8-16)23-19(26)21-9-10-24-11-13-27-14-12-24/h4-8,15H,9-14H2,1-3H3,(H2,21,23,26)
InChIKeyKMIYGCPRLDBSQF-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.76
Rot. Bonds5

About 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea

1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 118791224) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID118791224
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)25-18(17(15-22-25)16-7-5-4-6-8-16)23-19(26)21-9-10-24-11-13-27-14-12-24/h4-8,15H,9-14H2,1-3H3,(H2,21,23,26)
InChIKeyKMIYGCPRLDBSQF-UHFFFAOYSA-N
XLogP2.76
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea (CID 118791224) is 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea is CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is KMIYGCPRLDBSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)25-18(17(15-22-25)16-7-5-4-6-8-16)23-19(26)21-9-10-24-11-13-27-14-12-24/h4-8,15H,9-14H2,1-3H3,(H2,21,23,26).
What are the key properties of 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea?
1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 371.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 118791224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).