1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine

C21H33N7 — CID 102357783

IUPAC1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine
SMILESCc1nn(CN(Cn2nc(C)c(C)c2C)Cn2nc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H33N7/c1-13-16(4)22-26(19(13)7)10-25(11-27-20(8)14(2)17(5)23-27)12-28-21(9)15(3)18(6)24-28/h10-12H2,1-9H3
InChIKeyDVYKCTFBMQZHCZ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.63
Rot. Bonds6

About 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine

1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine (PubChem CID 102357783) has the molecular formula C21H33N7 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine
PubChem CID102357783
Molecular FormulaC21H33N7
Molecular Weight383.54 g/mol
Exact Mass383.28
IUPAC Name1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine
SMILESCc1nn(CN(Cn2nc(C)c(C)c2C)Cn2nc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H33N7/c1-13-16(4)22-26(19(13)7)10-25(11-27-20(8)14(2)17(5)23-27)12-28-21(9)15(3)18(6)24-28/h10-12H2,1-9H3
InChIKeyDVYKCTFBMQZHCZ-UHFFFAOYSA-N
XLogP3.63
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine?
The IUPAC name of 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine (CID 102357783) is 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine is Cc1nn(CN(Cn2nc(C)c(C)c2C)Cn2nc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine?
The InChIKey is DVYKCTFBMQZHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7/c1-13-16(4)22-26(19(13)7)10-25(11-27-20(8)14(2)17(5)23-27)12-28-21(9)15(3)18(6)24-28/h10-12H2,1-9H3.
What are the key properties of 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine?
1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine has a molecular weight of 383.54 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethylpyrazol-1-yl)-N,N-bis[(3,4,5-trimethylpyrazol-1-yl)methyl]methanamine is sourced from PubChem (CID 102357783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).