1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea

C13H23N5O — CID 94180964

IUPAC1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCCN1CCCC1
InChIInChI=1S/C13H23N5O/c1-12(11-18-9-4-5-15-18)16-13(19)14-6-10-17-7-2-3-8-17/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,14,16,19)/t12-/m1/s1
InChIKeyRDKGTFXOQTUXQX-GFCCVEGCSA-N
MW265.36 g/mol
LogP0.67
Rot. Bonds6

About 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea

1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 94180964) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID94180964
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCCN1CCCC1
InChIInChI=1S/C13H23N5O/c1-12(11-18-9-4-5-15-18)16-13(19)14-6-10-17-7-2-3-8-17/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,14,16,19)/t12-/m1/s1
InChIKeyRDKGTFXOQTUXQX-GFCCVEGCSA-N
XLogP0.67
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
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CID 94031085
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 98798236
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087344
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95135121
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 52521591
1-(3-hydroxy-3-phenylbutyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 138044191
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94029232
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94196829

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea (CID 94180964) is 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea is C[C@H](Cn1cccn1)NC(=O)NCCN1CCCC1.
What is the InChIKey of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is RDKGTFXOQTUXQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N5O/c1-12(11-18-9-4-5-15-18)16-13(19)14-6-10-17-7-2-3-8-17/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,14,16,19)/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea?
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea has a molecular weight of 265.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 94180964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).