1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C12H15N5O — CID 97085040

IUPAC1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C12H15N5O/c18-12(11-7-13-9-14-11)17-6-1-3-10(17)8-16-5-2-4-15-16/h2,4-5,7,9-10H,1,3,6,8H2,(H,13,14)/t10-/m1/s1
InChIKeyLKFPUPNSDIMHSM-SNVBAGLBSA-N
MW245.29 g/mol
LogP0.91
Rot. Bonds3

About 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 97085040) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID97085040
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc[nH]1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C12H15N5O/c18-12(11-7-13-9-14-11)17-6-1-3-10(17)8-16-5-2-4-15-16/h2,4-5,7,9-10H,1,3,6,8H2,(H,13,14)/t10-/m1/s1
InChIKeyLKFPUPNSDIMHSM-SNVBAGLBSA-N
XLogP0.91
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344276
(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602653
(4-bromo-1H-pyrrol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778866
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(4-methylpyrimidin-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603803
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95603596
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923445
2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 97085040) is 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cnc[nH]1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is LKFPUPNSDIMHSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12(11-7-13-9-14-11)17-6-1-3-10(17)8-16-5-2-4-15-16/h2,4-5,7,9-10H,1,3,6,8H2,(H,13,14)/t10-/m1/s1.
What are the key properties of 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 245.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97085040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).