Skip to content

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride

C12H19ClFN5 — CID 126968198

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
SMILESCc1cnn(C)c1CNCc1cnn(CCF)c1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-10-5-15-17(2)12(10)8-14-6-11-7-16-18(9-11)4-3-13;/h5,7,9,14H,3-4,6,8H2,1-2H3;1H
InChIKeyKYKNAOCPYKLVMP-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.61
Rot. Bonds6

About N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 126968198) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
PubChem CID126968198
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
SMILESCc1cnn(C)c1CNCc1cnn(CCF)c1.Cl
InChIInChI=1S/C12H18FN5.ClH/c1-10-5-15-17(2)12(10)8-14-6-11-7-16-18(9-11)4-3-13;/h5,7,9,14H,3-4,6,8H2,1-2H3;1H
InChIKeyKYKNAOCPYKLVMP-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

Analyze N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride (CID 126968198) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride is Cc1cnn(C)c1CNCc1cnn(CCF)c1.Cl.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is KYKNAOCPYKLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5.ClH/c1-10-5-15-17(2)12(10)8-14-6-11-7-16-18(9-11)4-3-13;/h5,7,9,14H,3-4,6,8H2,1-2H3;1H.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-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-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 126968198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.