[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C19H21N5O2 — CID 97009815

IUPAC[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc(-c2cnc([C@@H]3CCCN3C(=O)c3cnn(C)c3)[nH]2)c1
InChIInChI=1S/C19H21N5O2/c1-23-12-14(10-21-23)19(25)24-8-4-7-17(24)18-20-11-16(22-18)13-5-3-6-15(9-13)26-2/h3,5-6,9-12,17H,4,7-8H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyXDLTUOIUQNNGLH-KRWDZBQOSA-N
MW351.41 g/mol
LogP2.80
Rot. Bonds4

About [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 97009815) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID97009815
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc(-c2cnc([C@@H]3CCCN3C(=O)c3cnn(C)c3)[nH]2)c1
InChIInChI=1S/C19H21N5O2/c1-23-12-14(10-21-23)19(25)24-8-4-7-17(24)18-20-11-16(22-18)13-5-3-6-15(9-13)26-2/h3,5-6,9-12,17H,4,7-8H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyXDLTUOIUQNNGLH-KRWDZBQOSA-N
XLogP2.80
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118355182
[(2S)-2-[5-[4-[3-[2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 58079252
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(2R)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97000779
(E)-3-(1H-indol-5-yl)-1-[2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 155945779
methyl N-[(2S)-1-[(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]sulfonyloxyphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 142736585
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
2-methoxy-1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 146152365
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
3-(benzenesulfonyl)-1-[(2S)-2-[5-[4-[3-[2-[(2S)-1-[3-(benzenesulfonyl)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 58079242
[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 96533760
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 167484817

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 97009815) is [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is COc1cccc(-c2cnc([C@@H]3CCCN3C(=O)c3cnn(C)c3)[nH]2)c1.
What is the InChIKey of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is XDLTUOIUQNNGLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-12-14(10-21-23)19(25)24-8-4-7-17(24)18-20-11-16(22-18)13-5-3-6-15(9-13)26-2/h3,5-6,9-12,17H,4,7-8H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 97009815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).