2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine

C16H23N5 — CID 95609740

IUPAC2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(CN2CCC[C@H]2Cn2nc(C)cc2C)cn1
InChIInChI=1S/C16H23N5/c1-12-7-14(3)21(19-12)11-16-5-4-6-20(16)10-15-9-17-13(2)8-18-15/h7-9,16H,4-6,10-11H2,1-3H3/t16-/m0/s1
InChIKeyUDJZBODRGYHEBR-INIZCTEOSA-N
MW285.39 g/mol
LogP2.26
Rot. Bonds4

About 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine

2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine (PubChem CID 95609740) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
PubChem CID95609740
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(CN2CCC[C@H]2Cn2nc(C)cc2C)cn1
InChIInChI=1S/C16H23N5/c1-12-7-14(3)21(19-12)11-16-5-4-6-20(16)10-15-9-17-13(2)8-18-15/h7-9,16H,4-6,10-11H2,1-3H3/t16-/m0/s1
InChIKeyUDJZBODRGYHEBR-INIZCTEOSA-N
XLogP2.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine with MolForge

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Related Compounds

2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 95349314
2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
CID 56780557
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95341499

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine (CID 95609740) is 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine is Cc1cnc(CN2CCC[C@H]2Cn2nc(C)cc2C)cn1.
What is the InChIKey of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine?
The InChIKey is UDJZBODRGYHEBR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N5/c1-12-7-14(3)21(19-12)11-16-5-4-6-20(16)10-15-9-17-13(2)8-18-15/h7-9,16H,4-6,10-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine?
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 95609740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).