1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine

C11H16FN5 — CID 122166515

IUPAC1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1ccnn1C
InChIInChI=1S/C11H16FN5/c1-9-8-17(6-4-12)15-11(9)13-7-10-3-5-14-16(10)2/h3,5,8H,4,6-7H2,1-2H3,(H,13,15)
InChIKeyOHHYESCRSNVYNK-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.51
Rot. Bonds5

About 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine

1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 122166515) has the molecular formula C11H16FN5 and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID122166515
Molecular FormulaC11H16FN5
Molecular Weight237.28 g/mol
Exact Mass237.14
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cn(CCF)nc1NCc1ccnn1C
InChIInChI=1S/C11H16FN5/c1-9-8-17(6-4-12)15-11(9)13-7-10-3-5-14-16(10)2/h3,5,8H,4,6-7H2,1-2H3,(H,13,15)
InChIKeyOHHYESCRSNVYNK-UHFFFAOYSA-N
XLogP1.51
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166497
1-(2-fluoroethyl)-4-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166940
4-[[[1-(2-fluoroethyl)-4-methylpyrazol-3-yl]amino]methyl]benzene-1,3-diol
CID 122168337
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-3-amine;hydrochloride
CID 126966977
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 63302427
4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 54863710
6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409041
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 103911597
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 122166515) is 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine is Cc1cn(CCF)nc1NCc1ccnn1C.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is OHHYESCRSNVYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5/c1-9-8-17(6-4-12)15-11(9)13-7-10-3-5-14-16(10)2/h3,5,8H,4,6-7H2,1-2H3,(H,13,15).
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 237.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).