N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride

C13H21ClFN5 — CID 126966978

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1NCc1c(C)nn(C)c1F.Cl
InChIInChI=1S/C13H20FN5.ClH/c1-8(2)19-7-12(10(4)17-19)15-6-11-9(3)16-18(5)13(11)14;/h7-8,15H,6H2,1-5H3;1H
InChIKeyZSUKSFKBSNLLHK-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.99
Rot. Bonds4

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 126966978) has the molecular formula C13H21ClFN5 and a molecular weight of 301.80 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID126966978
Molecular FormulaC13H21ClFN5
Molecular Weight301.80 g/mol
Exact Mass301.15
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1NCc1c(C)nn(C)c1F.Cl
InChIInChI=1S/C13H20FN5.ClH/c1-8(2)19-7-12(10(4)17-19)15-6-11-9(3)16-18(5)13(11)14;/h7-8,15H,6H2,1-5H3;1H
InChIKeyZSUKSFKBSNLLHK-UHFFFAOYSA-N
XLogP2.99
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (CID 126966978) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is Cc1nn(C(C)C)cc1NCc1c(C)nn(C)c1F.Cl.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is ZSUKSFKBSNLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5.ClH/c1-8(2)19-7-12(10(4)17-19)15-6-11-9(3)16-18(5)13(11)14;/h7-8,15H,6H2,1-5H3;1H.
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126966978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).