N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine

C11H16FN5 — CID 122169129

IUPACN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1c(C)nn(C)c1F
InChIInChI=1S/C11H16FN5/c1-7-9(11(12)17(4)15-7)5-13-10-6-16(3)14-8(10)2/h6,13H,5H2,1-4H3
InChIKeySVCPQWLYMKBHAT-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.52
Rot. Bonds3

About N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 122169129) has the molecular formula C11H16FN5 and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID122169129
Molecular FormulaC11H16FN5
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC NameN-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1c(C)nn(C)c1F
InChIInChI=1S/C11H16FN5/c1-7-9(11(12)17(4)15-7)5-13-10-6-16(3)14-8(10)2/h6,13H,5H2,1-4H3
InChIKeySVCPQWLYMKBHAT-UHFFFAOYSA-N
XLogP1.52
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126966978
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1-propan-2-ylpyrazol-3-amine
CID 122169153
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-3,5-difluorobenzonitrile
CID 107039064
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
1-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122169134
N-[(5-fluorothiophen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126967451
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 122167215
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 19627588
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine (CID 122169129) is N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCc1c(C)nn(C)c1F.
What is the InChIKey of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is SVCPQWLYMKBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5/c1-7-9(11(12)17(4)15-7)5-13-10-6-16(3)14-8(10)2/h6,13H,5H2,1-4H3.
What are the key properties of N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 237.28 g/mol, XLogP of 1.52, 3 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]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 122169129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).