N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride

C12H19ClFN5 — CID 126965966

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCc1cc(CNCc2ccnn2CCF)n(C)n1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-10-7-12(17(2)16-10)9-14-8-11-3-5-15-18(11)6-4-13;/h3,5,7,14H,4,6,8-9H2,1-2H3;1H
InChIKeyRVRYXDTVKACXKA-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.61
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 126965966) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
PubChem CID126965966
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCc1cc(CNCc2ccnn2CCF)n(C)n1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-10-7-12(17(2)16-10)9-14-8-11-3-5-15-18(11)6-4-13;/h3,5,7,14H,4,6,8-9H2,1-2H3;1H
InChIKeyRVRYXDTVKACXKA-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride (CID 126965966) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride is Cc1cc(CNCc2ccnn2CCF)n(C)n1.Cl.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is RVRYXDTVKACXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5.ClH/c1-10-7-12(17(2)16-10)9-14-8-11-3-5-15-18(11)6-4-13;/h3,5,7,14H,4,6,8-9H2,1-2H3;1H.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 126965966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).