N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

C11H18ClN5 — CID 126966462

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCCn1ccc(CNc2cc(C)nn2C)n1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-4-16-6-5-10(14-16)8-12-11-7-9(2)13-15(11)3;/h5-7,12H,4,8H2,1-3H3;1H
InChIKeyOOEGINCTHVYSOZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.98
Rot. Bonds4

About N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (PubChem CID 126966462) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
PubChem CID126966462
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCCn1ccc(CNc2cc(C)nn2C)n1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-4-16-6-5-10(14-16)8-12-11-7-9(2)13-15(11)3;/h5-7,12H,4,8H2,1-3H3;1H
InChIKeyOOEGINCTHVYSOZ-UHFFFAOYSA-N
XLogP1.98
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126965460
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-5-amine
CID 122166580
N-[(1-ethylpyrazol-3-yl)methyl]-2,4-dimethylaniline
CID 19619205
N-[(1-ethylpyrazol-3-yl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122166579
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
N-[(1-ethylpyrazol-3-yl)methyl]-5-fluoro-2-methylaniline
CID 19619230
N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (CID 126966462) is N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is CCn1ccc(CNc2cc(C)nn2C)n1.Cl.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The InChIKey is OOEGINCTHVYSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.ClH/c1-4-16-6-5-10(14-16)8-12-11-7-9(2)13-15(11)3;/h5-7,12H,4,8H2,1-3H3;1H.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).