1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine

C11H16FN5 — CID 164664743

IUPAC1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
SMILESCCn1cc(NCc2cnn(C)c2F)c(C)n1
InChIInChI=1S/C11H16FN5/c1-4-17-7-10(8(2)15-17)13-5-9-6-14-16(3)11(9)12/h6-7,13H,4-5H2,1-3H3
InChIKeyAPKXPLHFWNTHGR-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.70
Rot. Bonds4

About 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine

1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine (PubChem CID 164664743) has the molecular formula C11H16FN5 and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
PubChem CID164664743
Molecular FormulaC11H16FN5
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC Name1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
SMILESCCn1cc(NCc2cnn(C)c2F)c(C)n1
InChIInChI=1S/C11H16FN5/c1-4-17-7-10(8(2)15-17)13-5-9-6-14-16(3)11(9)12/h6-7,13H,4-5H2,1-3H3
InChIKeyAPKXPLHFWNTHGR-UHFFFAOYSA-N
XLogP1.70
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 171156653
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122169217
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122169227
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-dimethylpyrazol-5-amine;hydrochloride
CID 126965497
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine
CID 19626309
1-(1,3-dimethylpyrazol-4-yl)-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 171156649
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine (CID 164664743) is 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine is CCn1cc(NCc2cnn(C)c2F)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine?
The InChIKey is APKXPLHFWNTHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5/c1-4-17-7-10(8(2)15-17)13-5-9-6-14-16(3)11(9)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine?
1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine has a molecular weight of 237.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 164664743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).