1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride

C14H24ClN5 — CID 126967024

IUPAC1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCC(C)n1nccc1CNCc1cnn(CC)c1.Cl
InChIInChI=1S/C14H23N5.ClH/c1-4-12(3)19-14(6-7-16-19)10-15-8-13-9-17-18(5-2)11-13;/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3;1H
InChIKeyJVJNXNSPDOGRKO-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.78
Rot. Bonds7

About 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 126967024) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID126967024
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC Name1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCC(C)n1nccc1CNCc1cnn(CC)c1.Cl
InChIInChI=1S/C14H23N5.ClH/c1-4-12(3)19-14(6-7-16-19)10-15-8-13-9-17-18(5-2)11-13;/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3;1H
InChIKeyJVJNXNSPDOGRKO-UHFFFAOYSA-N
XLogP2.78
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride with MolForge

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124932358
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122166808
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 126967024) is 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride is CCC(C)n1nccc1CNCc1cnn(CC)c1.Cl.
What is the InChIKey of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is JVJNXNSPDOGRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.ClH/c1-4-12(3)19-14(6-7-16-19)10-15-8-13-9-17-18(5-2)11-13;/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3;1H.
What are the key properties of 1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.78, 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-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126967024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).