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

C15H25N5 — CID 122167258

IUPAC1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
SMILESCCC(C)n1nccc1CNCc1cn(CC)nc1C
InChIInChI=1S/C15H25N5/c1-5-12(3)20-15(7-8-17-20)10-16-9-14-11-19(6-2)18-13(14)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyIMTUBWODTGYPLL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.67
Rot. Bonds7

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

1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 122167258) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
PubChem CID122167258
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
SMILESCCC(C)n1nccc1CNCc1cn(CC)nc1C
InChIInChI=1S/C15H25N5/c1-5-12(3)20-15(7-8-17-20)10-16-9-14-11-19(6-2)18-13(14)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyIMTUBWODTGYPLL-UHFFFAOYSA-N
XLogP2.67
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965532
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167177
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124932358
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine (CID 122167258) is 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine is CCC(C)n1nccc1CNCc1cn(CC)nc1C.
What is the InChIKey of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IMTUBWODTGYPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-12(3)20-15(7-8-17-20)10-16-9-14-11-19(6-2)18-13(14)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine?
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 122167258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).