N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride

C12H19ClFN5 — CID 126964764

IUPACN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCCn1ncc(C)c1CNc1cnn(CCF)c1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-3-18-12(10(2)6-16-18)8-14-11-7-15-17(9-11)5-4-13;/h6-7,9,14H,3-5,8H2,1-2H3;1H
InChIKeySEUBZVCOOTVSPI-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.41
Rot. Bonds6

About N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride (PubChem CID 126964764) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
PubChem CID126964764
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCCn1ncc(C)c1CNc1cnn(CCF)c1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-3-18-12(10(2)6-16-18)8-14-11-7-15-17(9-11)5-4-13;/h6-7,9,14H,3-5,8H2,1-2H3;1H
InChIKeySEUBZVCOOTVSPI-UHFFFAOYSA-N
XLogP2.41
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964190
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine
CID 154866077
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965016
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126968198
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126966176
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
CID 122169295

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride (CID 126964764) is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride is CCn1ncc(C)c1CNc1cnn(CCF)c1.Cl.
What is the InChIKey of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is SEUBZVCOOTVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5.ClH/c1-3-18-12(10(2)6-16-18)8-14-11-7-15-17(9-11)5-4-13;/h6-7,9,14H,3-5,8H2,1-2H3;1H.
What are the key properties of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride?
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 2.41, 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-(2-fluoroethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).