3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C15H26N4O — CID 95607640

IUPAC3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCCN(C)CCC(=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H26N4O/c1-3-9-17(2)12-7-15(20)19-11-4-6-14(19)13-18-10-5-8-16-18/h5,8,10,14H,3-4,6-7,9,11-13H2,1-2H3/t14-/m0/s1
InChIKeyFDRAEFWFKFNECQ-AWEZNQCLSA-N
MW278.40 g/mol
LogP1.61
Rot. Bonds7

About 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 95607640) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID95607640
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESCCCN(C)CCC(=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H26N4O/c1-3-9-17(2)12-7-15(20)19-11-4-6-14(19)13-18-10-5-8-16-18/h5,8,10,14H,3-4,6-7,9,11-13H2,1-2H3/t14-/m0/s1
InChIKeyFDRAEFWFKFNECQ-AWEZNQCLSA-N
XLogP1.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607603
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95603619
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95315184
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
(2S)-2-methylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95603761
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603521
(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 95607640) is 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is CCCN(C)CCC(=O)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is FDRAEFWFKFNECQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-9-17(2)12-7-15(20)19-11-4-6-14(19)13-18-10-5-8-16-18/h5,8,10,14H,3-4,6-7,9,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95607640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).