1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea

C20H33N5O3 — CID 97010472

IUPAC1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)N(C[C@H]1CCCO1)C1CCCC1
InChIInChI=1S/C20H33N5O3/c26-20(25(18-4-1-2-5-18)16-19-6-3-11-28-19)22-17-14-21-24(15-17)8-7-23-9-12-27-13-10-23/h14-15,18-19H,1-13,16H2,(H,22,26)/t19-/m1/s1
InChIKeyLWTGLPYYKJULOF-LJQANCHMSA-N
MW391.52 g/mol
LogP2.17
Rot. Bonds7

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

1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 97010472) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID97010472
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)N(C[C@H]1CCCO1)C1CCCC1
InChIInChI=1S/C20H33N5O3/c26-20(25(18-4-1-2-5-18)16-19-6-3-11-28-19)22-17-14-21-24(15-17)8-7-23-9-12-27-13-10-23/h14-15,18-19H,1-13,16H2,(H,22,26)/t19-/m1/s1
InChIKeyLWTGLPYYKJULOF-LJQANCHMSA-N
XLogP2.17
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-(oxolan-2-ylmethyl)urea
CID 71861206
1-cyclopentyl-1-(oxolan-2-ylmethyl)-3-(1-pyridin-4-ylpyrazol-4-yl)urea
CID 71861211
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
N-(3-ethylcyclohexyl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849040
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 97010472) is 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea is O=C(Nc1cnn(CCN2CCOCC2)c1)N(C[C@H]1CCCO1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is LWTGLPYYKJULOF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H33N5O3/c26-20(25(18-4-1-2-5-18)16-19-6-3-11-28-19)22-17-14-21-24(15-17)8-7-23-9-12-27-13-10-23/h14-15,18-19H,1-13,16H2,(H,22,26)/t19-/m1/s1.
What are the key properties of 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 391.52 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 97010472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).