1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea

C18H34N6O2 — CID 42684872

IUPAC1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H34N6O2/c1-17(2,3)14-13(15(19)24(22-14)18(4,5)6)21-16(25)20-7-8-23-9-11-26-12-10-23/h7-12,19H2,1-6H3,(H2,20,21,25)
InChIKeyOGUHLBOYIZMEDH-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.97
Rot. Bonds4

About 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea

1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 42684872) has the molecular formula C18H34N6O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID42684872
Molecular FormulaC18H34N6O2
Molecular Weight366.51 g/mol
Exact Mass366.27
IUPAC Name1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H34N6O2/c1-17(2,3)14-13(15(19)24(22-14)18(4,5)6)21-16(25)20-7-8-23-9-11-26-12-10-23/h7-12,19H2,1-6H3,(H2,20,21,25)
InChIKeyOGUHLBOYIZMEDH-UHFFFAOYSA-N
XLogP1.97
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 118791224
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272
1-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-morpholin-4-ylethyl)urea
CID 113213344
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
3,3,3-trifluoro-2-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)propanoic acid
CID 79791519
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea (CID 42684872) is 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea is CC(C)(C)c1nn(C(C)(C)C)c(N)c1NC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is OGUHLBOYIZMEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O2/c1-17(2,3)14-13(15(19)24(22-14)18(4,5)6)21-16(25)20-7-8-23-9-11-26-12-10-23/h7-12,19H2,1-6H3,(H2,20,21,25).
What are the key properties of 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea?
1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 366.51 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-ditert-butylpyrazol-4-yl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 42684872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).