1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea

C20H27N5O3 — CID 72882272

IUPAC1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H27N5O3/c1-23(9-3-4-16-14-21-24(2)15-16)20(27)22-18-7-5-17(6-8-18)19(26)25-10-12-28-13-11-25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,27)
InChIKeyXVSSJNQJTLUDCF-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.99
Rot. Bonds6

About 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea

1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 72882272) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
PubChem CID72882272
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
SMILESCN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H27N5O3/c1-23(9-3-4-16-14-21-24(2)15-16)20(27)22-18-7-5-17(6-8-18)19(26)25-10-12-28-13-11-25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,27)
InChIKeyXVSSJNQJTLUDCF-UHFFFAOYSA-N
XLogP1.99
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 72909535
3-(3-cyanophenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 72861936
3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50826749
1-butyl-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
CID 17283707
3-(1,5-dimethylpyrazol-4-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 1223934
(2R)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97271373
[4-[2-(1-methylpyrazol-4-yl)ethylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133271042
1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 72888553
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 49120184
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 97157164
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 47062111

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea (CID 72882272) is 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea is CN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is XVSSJNQJTLUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-23(9-3-4-16-14-21-24(2)15-16)20(27)22-18-7-5-17(6-8-18)19(26)25-10-12-28-13-11-25/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,22,27).
What are the key properties of 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea?
1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 385.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 72882272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).