1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

C16H29N5O2 — CID 51083725

IUPAC1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)NCCc2cnn(C)c2)C1
InChIInChI=1S/C16H29N5O2/c1-13(2)10-21-6-7-23-15(12-21)9-18-16(22)17-5-4-14-8-19-20(3)11-14/h8,11,13,15H,4-7,9-10,12H2,1-3H3,(H2,17,18,22)
InChIKeyQNKMCTJDYIKDPW-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.62
Rot. Bonds7

About 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 51083725) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID51083725
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCC(C)CN1CCOC(CNC(=O)NCCc2cnn(C)c2)C1
InChIInChI=1S/C16H29N5O2/c1-13(2)10-21-6-7-23-15(12-21)9-18-16(22)17-5-4-14-8-19-20(3)11-14/h8,11,13,15H,4-7,9-10,12H2,1-3H3,(H2,17,18,22)
InChIKeyQNKMCTJDYIKDPW-UHFFFAOYSA-N
XLogP0.62
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71851473
2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 86779485
(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124571375
(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 125439279
2-(hydroxymethyl)-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
CID 132385627
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
2-ethyl-2-methyl-N-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}morpholine-4-carboxamide
CID 121523606
N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
CID 128686364
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 129478524
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968520
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 78891738
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97602594

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (CID 51083725) is 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is CC(C)CN1CCOC(CNC(=O)NCCc2cnn(C)c2)C1.
What is the InChIKey of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is QNKMCTJDYIKDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-13(2)10-21-6-7-23-15(12-21)9-18-16(22)17-5-4-14-8-19-20(3)11-14/h8,11,13,15H,4-7,9-10,12H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 323.44 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 51083725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).