[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone

C18H27N5O — CID 125022683

IUPAC[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1nc(C)c(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)c1C
InChIInChI=1S/C18H27N5O/c1-6-8-23-14(4)16(13(3)20-23)18(24)22-9-7-15(11-22)17-19-12(2)10-21(17)5/h10,15H,6-9,11H2,1-5H3/t15-/m0/s1
InChIKeyYSHMDJRIBUYYII-HNNXBMFYSA-N
MW329.45 g/mol
LogP2.58
Rot. Bonds4

About [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone

[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone (PubChem CID 125022683) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
PubChem CID125022683
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1nc(C)c(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)c1C
InChIInChI=1S/C18H27N5O/c1-6-8-23-14(4)16(13(3)20-23)18(24)22-9-7-15(11-22)17-19-12(2)10-21(17)5/h10,15H,6-9,11H2,1-5H3/t15-/m0/s1
InChIKeyYSHMDJRIBUYYII-HNNXBMFYSA-N
XLogP2.58
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964372
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964371
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124997453
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119520508
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone (CID 125022683) is [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone is CCCn1nc(C)c(C(=O)N2CC[C@H](c3nc(C)cn3C)C2)c1C.
What is the InChIKey of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is YSHMDJRIBUYYII-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-6-8-23-14(4)16(13(3)20-23)18(24)22-9-7-15(11-22)17-19-12(2)10-21(17)5/h10,15H,6-9,11H2,1-5H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone?
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 125022683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).