[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

C19H26N4O — CID 95344993

IUPAC[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)[C@H](C)n1cccn1
InChIInChI=1S/C19H26N4O/c1-15(16(2)23-13-5-10-21-23)20-14-17-6-8-18(9-7-17)19(24)22-11-3-4-12-22/h5-10,13,15-16,20H,3-4,11-12,14H2,1-2H3/t15-,16-/m0/s1
InChIKeyNHBOAZDVLYFRMO-HOTGVXAUSA-N
MW326.44 g/mol
LogP2.86
Rot. Bonds6

About [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 95344993) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID95344993
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)[C@H](C)n1cccn1
InChIInChI=1S/C19H26N4O/c1-15(16(2)23-13-5-10-21-23)20-14-17-6-8-18(9-7-17)19(24)22-11-3-4-12-22/h5-10,13,15-16,20H,3-4,11-12,14H2,1-2H3/t15-,16-/m0/s1
InChIKeyNHBOAZDVLYFRMO-HOTGVXAUSA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 56718318
[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 50973621
[4-[[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95135521
(2S,3R)-3-pyrazol-1-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]butan-2-amine
CID 95279915
(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95275074
(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276258
1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 56802463
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
(2R,3S)-N-[[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274972
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 94668085

Frequently Asked Questions

What is the IUPAC name of [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 95344993) is [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone is C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)[C@H](C)n1cccn1.
What is the InChIKey of [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NHBOAZDVLYFRMO-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(16(2)23-13-5-10-21-23)20-14-17-6-8-18(9-7-17)19(24)22-11-3-4-12-22/h5-10,13,15-16,20H,3-4,11-12,14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95344993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).