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

C15H26ClN5 — CID 126964300

IUPACN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
SMILESCCn1ncc(C)c1CNCc1cc(C(C)C)nn1C.Cl
InChIInChI=1S/C15H25N5.ClH/c1-6-20-15(12(4)8-17-20)10-16-9-13-7-14(11(2)3)18-19(13)5;/h7-8,11,16H,6,9-10H2,1-5H3;1H
InChIKeyJESMOIFJXZOFPS-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.78
Rot. Bonds6

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

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride (PubChem CID 126964300) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
PubChem CID126964300
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
SMILESCCn1ncc(C)c1CNCc1cc(C(C)C)nn1C.Cl
InChIInChI=1S/C15H25N5.ClH/c1-6-20-15(12(4)8-17-20)10-16-9-13-7-14(11(2)3)18-19(13)5;/h7-8,11,16H,6,9-10H2,1-5H3;1H
InChIKeyJESMOIFJXZOFPS-UHFFFAOYSA-N
XLogP2.78
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126967328
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965951
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167004
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126967265
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122167100
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122169118
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
CID 122166030
1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
CID 122168378
2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
CID 122166019
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
CID 122167116
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
The IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride (CID 126964300) is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride is CCn1ncc(C)c1CNCc1cc(C(C)C)nn1C.Cl.
What is the InChIKey of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
The InChIKey is JESMOIFJXZOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-6-20-15(12(4)8-17-20)10-16-9-13-7-14(11(2)3)18-19(13)5;/h7-8,11,16H,6,9-10H2,1-5H3;1H.
What are the key properties of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride?
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 126964300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).