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

C11H18ClN5 — CID 126965183

IUPAC1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCn1cc(NCc2ccnn2CC)cn1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-3-15-9-10(7-14-15)12-8-11-5-6-13-16(11)4-2;/h5-7,9,12H,3-4,8H2,1-2H3;1H
InChIKeyMYODQQLYLYQLPF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.15
Rot. Bonds5

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

1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126965183) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126965183
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCCn1cc(NCc2ccnn2CC)cn1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-3-15-9-10(7-14-15)12-8-11-5-6-13-16(11)4-2;/h5-7,9,12H,3-4,8H2,1-2H3;1H
InChIKeyMYODQQLYLYQLPF-UHFFFAOYSA-N
XLogP2.15
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
N-cyclopropyl-2-[4-[(2-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]acetamide
CID 115762221
1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965671
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977
2-[4-[[2-(2-methylpropyl)pyrazol-3-yl]methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965274
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N,1-diethylpyrazol-4-amine
CID 43543394
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
N-[(2-ethylpyrazol-3-yl)methyl]thiadiazol-5-amine
CID 107234371
N-[(2-ethylpyrazol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 19619290
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
1-ethyl-N-(pyrimidin-4-ylmethyl)pyrazol-4-amine
CID 62760929

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126965183) is 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride is CCn1cc(NCc2ccnn2CC)cn1.Cl.
What is the InChIKey of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is MYODQQLYLYQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.ClH/c1-3-15-9-10(7-14-15)12-8-11-5-6-13-16(11)4-2;/h5-7,9,12H,3-4,8H2,1-2H3;1H.
What are the key properties of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride?
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126965183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).