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

C14H24ClN5 — CID 126964634

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCCn1cc(CNCc2ccnn2CC(C)C)cn1.Cl
InChIInChI=1S/C14H23N5.ClH/c1-4-18-11-13(8-17-18)7-15-9-14-5-6-16-19(14)10-12(2)3;/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3;1H
InChIKeyFLNDGPMBZFJFES-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.47
Rot. Bonds7

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

N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 126964634) has the molecular formula C14H24ClN5 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
PubChem CID126964634
Molecular FormulaC14H24ClN5
Molecular Weight297.83 g/mol
Exact Mass297.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCCn1cc(CNCc2ccnn2CC(C)C)cn1.Cl
InChIInChI=1S/C14H23N5.ClH/c1-4-18-11-13(8-17-18)7-15-9-14-5-6-16-19(14)10-12(2)3;/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3;1H
InChIKeyFLNDGPMBZFJFES-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126965807
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166954
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
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122166808
2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965274
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride (CID 126964634) is N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride is CCn1cc(CNCc2ccnn2CC(C)C)cn1.Cl.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is FLNDGPMBZFJFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5.ClH/c1-4-18-11-13(8-17-18)7-15-9-14-5-6-16-19(14)10-12(2)3;/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3;1H.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride?
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 126964634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).