N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine

C15H25N5 — CID 122167165

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
SMILESCCn1cc(CNCc2cc(C(C)C)nn2C)c(C)n1
InChIInChI=1S/C15H25N5/c1-6-20-10-13(12(4)17-20)8-16-9-14-7-15(11(2)3)18-19(14)5/h7,10-11,16H,6,8-9H2,1-5H3
InChIKeyMUVJPLDMPYHENO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.36
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 122167165) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID122167165
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
SMILESCCn1cc(CNCc2cc(C(C)C)nn2C)c(C)n1
InChIInChI=1S/C15H25N5/c1-6-20-10-13(12(4)17-20)8-16-9-14-7-15(11(2)3)18-19(14)5/h7,10-11,16H,6,8-9H2,1-5H3
InChIKeyMUVJPLDMPYHENO-UHFFFAOYSA-N
XLogP2.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine (CID 122167165) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine is CCn1cc(CNCc2cc(C(C)C)nn2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is MUVJPLDMPYHENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-6-20-10-13(12(4)17-20)8-16-9-14-7-15(11(2)3)18-19(14)5/h7,10-11,16H,6,8-9H2,1-5H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 122167165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).