1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C16H22N6O — CID 94164669

IUPAC1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESC[C@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H22N6O/c1-13(12-22-10-4-7-18-22)19-16(23)20-14-5-6-15(17-11-14)21-8-2-3-9-21/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyMVOYBYNTSATIBA-CYBMUJFWSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds5

About 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 94164669) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID94164669
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESC[C@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C16H22N6O/c1-13(12-22-10-4-7-18-22)19-16(23)20-14-5-6-15(17-11-14)21-8-2-3-9-21/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyMVOYBYNTSATIBA-CYBMUJFWSA-N
XLogP2.09
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

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
1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
CID 113014511
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94172337
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 166532937
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 94180964
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
(2R)-2-imidazol-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 94068119

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 94164669) is 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is C[C@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is MVOYBYNTSATIBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13(12-22-10-4-7-18-22)19-16(23)20-14-5-6-15(17-11-14)21-8-2-3-9-21/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H2,19,20,23)/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94164669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).