1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea

C14H22N4O2 — CID 94201395

IUPAC1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C14H22N4O2/c19-14(15-10-12-6-3-9-20-12)17-13-7-8-16-18(13)11-4-1-2-5-11/h7-8,11-12H,1-6,9-10H2,(H2,15,17,19)/t12-/m1/s1
InChIKeyUKDYVICRAOQCRX-GFCCVEGCSA-N
MW278.36 g/mol
LogP2.30
Rot. Bonds4

About 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea

1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 94201395) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID94201395
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NC[C@H]1CCCO1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C14H22N4O2/c19-14(15-10-12-6-3-9-20-12)17-13-7-8-16-18(13)11-4-1-2-5-11/h7-8,11-12H,1-6,9-10H2,(H2,15,17,19)/t12-/m1/s1
InChIKeyUKDYVICRAOQCRX-GFCCVEGCSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 39965405
3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800086
(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800094
3-[1-(2-methoxyethyl)pyrazol-3-yl]-1-[[(2R)-oxolan-2-yl]methyl]-1-prop-2-ynylurea
CID 97063114
1-(1-ethylpyrazol-3-yl)-3-[(1R,2S)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]urea
CID 136585828
(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide
CID 138001530
N-(2-cyclobutylpyrazol-3-yl)morpholine-4-carboxamide
CID 138030394
1-[1-(2,2-Difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea
CID 71909215
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 97095878
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1R)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 97095879
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97095880
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]propyl]urea
CID 97095881

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 94201395) is 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NC[C@H]1CCCO1)Nc1ccnn1C1CCCC1.
What is the InChIKey of 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is UKDYVICRAOQCRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(15-10-12-6-3-9-20-12)17-13-7-8-16-18(13)11-4-1-2-5-11/h7-8,11-12H,1-6,9-10H2,(H2,15,17,19)/t12-/m1/s1.
What are the key properties of 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 278.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpyrazol-3-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94201395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).