N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride

C11H17ClFN5 — CID 171156667

IUPACN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cnn(C)c2F)cn1.Cl
InChIInChI=1S/C11H16FN5.ClH/c1-3-4-17-8-10(7-15-17)13-5-9-6-14-16(2)11(9)12;/h6-8,13H,3-5H2,1-2H3;1H
InChIKeySDHGQVGEXGOZEJ-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.20
Rot. Bonds5

About N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride

N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride (PubChem CID 171156667) has the molecular formula C11H17ClFN5 and a molecular weight of 273.74 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
PubChem CID171156667
Molecular FormulaC11H17ClFN5
Molecular Weight273.74 g/mol
Exact Mass273.12
IUPAC NameN-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
SMILESCCCn1cc(NCc2cnn(C)c2F)cn1.Cl
InChIInChI=1S/C11H16FN5.ClH/c1-3-4-17-8-10(7-15-17)13-5-9-6-14-16(2)11(9)12;/h6-8,13H,3-5H2,1-2H3;1H
InChIKeySDHGQVGEXGOZEJ-UHFFFAOYSA-N
XLogP2.20
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.20
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-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride (CID 171156667) is N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride is CCCn1cc(NCc2cnn(C)c2F)cn1.Cl.
What is the InChIKey of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
The InChIKey is SDHGQVGEXGOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5.ClH/c1-3-4-17-8-10(7-15-17)13-5-9-6-14-16(2)11(9)12;/h6-8,13H,3-5H2,1-2H3;1H.
What are the key properties of N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride?
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 171156667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).