[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea

C15H25N5O2 — CID 95603907

IUPAC[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea
SMILESCCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H25N5O2/c1-2-3-7-13(18-15(16)22)14(21)20-10-4-6-12(20)11-19-9-5-8-17-19/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H3,16,18,22)/t12-,13-/m0/s1
InChIKeyGMHAGWPICYVFNK-STQMWFEESA-N
MW307.40 g/mol
LogP1.10
Rot. Bonds7

About [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea

[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea (PubChem CID 95603907) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea
PubChem CID95603907
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea
SMILESCCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H25N5O2/c1-2-3-7-13(18-15(16)22)14(21)20-10-4-6-12(20)11-19-9-5-8-17-19/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H3,16,18,22)/t12-,13-/m0/s1
InChIKeyGMHAGWPICYVFNK-STQMWFEESA-N
XLogP1.10
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea with MolForge

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Related Compounds

[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]urea;hydrochloride
CID 119649300
(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634
(2S)-2-methylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95603761
(2R)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95603680
3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95607640
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
(2R)-2-methoxy-2-phenyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603784
(2R)-3-methyl-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95603832
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea?
The IUPAC name of [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea (CID 95603907) is [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea.
What is the SMILES notation for [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea?
The canonical SMILES for [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea is CCCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea?
The InChIKey is GMHAGWPICYVFNK-STQMWFEESA-N. The full InChI is InChI=1S/C15H25N5O2/c1-2-3-7-13(18-15(16)22)14(21)20-10-4-6-12(20)11-19-9-5-8-17-19/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H3,16,18,22)/t12-,13-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea?
[(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea has a molecular weight of 307.40 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]hexan-2-yl]urea is sourced from PubChem (CID 95603907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).