2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline

C15H19FN4 — CID 75449187

IUPAC2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline
SMILESCn1nccc1CNc1c(F)cccc1N1CCCC1
InChIInChI=1S/C15H19FN4/c1-19-12(7-8-18-19)11-17-15-13(16)5-4-6-14(15)20-9-2-3-10-20/h4-8,17H,2-3,9-11H2,1H3
InChIKeyDMLNVGBCIWJFQB-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.77
Rot. Bonds4

About 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline

2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline (PubChem CID 75449187) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline
PubChem CID75449187
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline
SMILESCn1nccc1CNc1c(F)cccc1N1CCCC1
InChIInChI=1S/C15H19FN4/c1-19-12(7-8-18-19)11-17-15-13(16)5-4-6-14(15)20-9-2-3-10-20/h4-8,17H,2-3,9-11H2,1H3
InChIKeyDMLNVGBCIWJFQB-UHFFFAOYSA-N
XLogP2.77
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-fluoro-6-pyrrolidin-1-ylaniline
CID 122141409
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 63302427
N-[(2-methylpyrazol-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690355
2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103002231
4-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80906477
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 54863710
N-[(2-methylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43663157

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline?
The IUPAC name of 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline (CID 75449187) is 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline is Cn1nccc1CNc1c(F)cccc1N1CCCC1.
What is the InChIKey of 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline?
The InChIKey is DMLNVGBCIWJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-19-12(7-8-18-19)11-17-15-13(16)5-4-6-14(15)20-9-2-3-10-20/h4-8,17H,2-3,9-11H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline?
2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline has a molecular weight of 274.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline is sourced from PubChem (CID 75449187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).