N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine

C16H24N6 — CID 110116680

IUPACN,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cncc(C2CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C16H24N6/c1-20(2)12-14-8-17-9-15(19-14)16-5-4-6-22(16)11-13-7-18-21(3)10-13/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyVKZANXFWRJTLBD-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.61
Rot. Bonds5

About N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine

N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine (PubChem CID 110116680) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine
PubChem CID110116680
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine
SMILESCN(C)Cc1cncc(C2CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C16H24N6/c1-20(2)12-14-8-17-9-15(19-14)16-5-4-6-22(16)11-13-7-18-21(3)10-13/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyVKZANXFWRJTLBD-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116694
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
1-[6-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 124977315
N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
CID 95896839
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 124977694
1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 128978946
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 110254681
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95817558
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine (CID 110116680) is N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine is CN(C)Cc1cncc(C2CCCN2Cc2cnn(C)c2)n1.
What is the InChIKey of N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
The InChIKey is VKZANXFWRJTLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-20(2)12-14-8-17-9-15(19-14)16-5-4-6-22(16)11-13-7-18-21(3)10-13/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine?
N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine has a molecular weight of 300.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 110116680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).